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Glykosylverbindungen

Kohlenhydratderivate, bei denen ein Zucker über eine glycosidische Bindung an eine andere funktionelle Gruppe gebunden ist; spielen in lebenden Organismen eine Vielzahl von Rollen; können klassifiziert sein und basierend auf Glyconen/Vorhandensein von Zucker, Bindungsart oder Agylcon verwendet werden.

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1

Nikotinsäure-Ribosid, TRC

CAS: 17720-18-2 Summenformel: C11 H13 N O6 Molekulargewicht (g/mol): 255.22 Synonym: Nicotinic riboside,Nicotinic acid ribonucleoside IUPAC-Name: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl]Pyridin-1-ium-3-Carboxylat SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]2cccc(c2)C(=O)[O-]

IUPAC-Name 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl]Pyridin-1-ium-3-Carboxylat
CAS 17720-18-2
Molekulargewicht (g/mol) 255.22
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]2cccc(c2)C(=O)[O-]
Synonym Nicotinic riboside,Nicotinic acid ribonucleoside
Summenformel C11 H13 N O6
2

Mycophenolsäure Beta-D-Glucuronid, TRC

CAS: 31528-44-6 Summenformel: C23 H28 O12 Molekulargewicht (g/mol): 496.46 Synonym: Mycophenolic Acid β-D-Glucuronide IUPAC-Name: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-Carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-Carboxylsäure SMILES: COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)O

IUPAC-Name (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-Carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-Carboxylsäure
CAS 31528-44-6
Molekulargewicht (g/mol) 496.46
SMILES COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)O
Synonym Mycophenolic Acid β-D-Glucuronide
Summenformel C23 H28 O12
3

Koffeinsäure 3-Beta-D-Glucuronid, TRC

CAS: 1093679-73-2 Summenformel: C15H16O10 Molekulargewicht (g/mol): 356.28 Synonym: 5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid; IUPAC-Name: (2S,3S,4S,5R,6S)-6-[5-[(E)-2-Carboxyethenyl]-2-Hydroxyphenoxy]-3,4,5-Trihydroxyoxan-2-Carbonsäure SMILES: C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O

IUPAC-Name (2S,3S,4S,5R,6S)-6-[5-[(E)-2-Carboxyethenyl]-2-Hydroxyphenoxy]-3,4,5-Trihydroxyoxan-2-Carbonsäure
CAS 1093679-73-2
Molekulargewicht (g/mol) 356.28
SMILES C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O
Synonym 5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid;
Summenformel C15H16O10
4

Dihydroferulinsäure 4-O-beta-D-Glucuronid, TRC

CAS: 86321-28-0 Summenformel: C16H20O10 Molekulargewicht (g/mol): 372.32 Synonym: 4-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroferulic Acid 4-O-Glucuronide SMILES: COc1cc(CCC(=O)O)ccc1O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O

CAS 86321-28-0
Molekulargewicht (g/mol) 372.32
SMILES COc1cc(CCC(=O)O)ccc1O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O
Synonym 4-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroferulic Acid 4-O-Glucuronide
Summenformel C16H20O10
5

Dihydroisoferulsäure 3-O-beta-D-Glucuronid, TRC

CAS: 1187945-72-7 Summenformel: C16H20O10 Molekulargewicht (g/mol): 372.32 Synonym: 5-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroisoferulic Acid 3-O-Glucuronide; SMILES: COc1ccc(CCC(=O)O)cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O

CAS 1187945-72-7
Molekulargewicht (g/mol) 372.32
SMILES COc1ccc(CCC(=O)O)cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O
Synonym 5-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroisoferulic Acid 3-O-Glucuronide;
Summenformel C16H20O10
6

4-Nitrophenyl-beta-D-Glucuronid, +99 %, Thermo Scientific Chemicals

CAS: 10344-94-2 Summenformel: C12H12NO9 Molekulargewicht (g/mol): 314.23 MDL-Nummer: MFCD00036210 InChI-Schlüssel: QSUILVWOWLUOEU-GOVZDWNOSA-M Synonym: 4-Nitrophenyl-beta-D-glucuronid,4-nitrophenylglucuronide,4-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl beta-d-glucuronide,p-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl b-d-glucosiduronic acid,p-nitrophenyl-b-d-glucuronide,p-nitrophenyl beta-d-glucuronide,beta-d-glucopyranosiduronic acid, 4-nitrophenyl, labeled with carbon-14,4-nitrophenyl-beta-d-glucopyranosiduronic acid PubChem CID: 82565 IUPAC-Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-nitrophenoxy)oxan-2-carboxylat SMILES: O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)O[C@@H]([C@H]1O)C([O-])=O

InChI-Schlüssel QSUILVWOWLUOEU-GOVZDWNOSA-M
IUPAC-Name (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-nitrophenoxy)oxan-2-carboxylat
PubChem CID 82565
CAS 10344-94-2
MDL-Nummer MFCD00036210
Molekulargewicht (g/mol) 314.23
SMILES O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)O[C@@H]([C@H]1O)C([O-])=O
Synonym 4-Nitrophenyl-beta-D-glucuronid,4-nitrophenylglucuronide,4-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl beta-d-glucuronide,p-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl b-d-glucosiduronic acid,p-nitrophenyl-b-d-glucuronide,p-nitrophenyl beta-d-glucuronide,beta-d-glucopyranosiduronic acid, 4-nitrophenyl, labeled with carbon-14,4-nitrophenyl-beta-d-glucopyranosiduronic acid
Summenformel C12H12NO9
7

Methylcellulose, Viskosität 400 cP (2 % Lösung in Wasser), Thermo Scientific Chemicals

CAS: 9004-67-5 Summenformel: C20H38O11 Molekulargewicht (g/mol): 454.513 MDL-Nummer: MFCD00081763 InChI-Schlüssel: YLGXILFCIXHCMC-JHGZEJCSSA-N PubChem CID: 51063134 IUPAC-Name: (5R)-2,3,4-Trimethoxy-6-(Methoxymethyl)-5-[(2S)-3,4,5-Trimethoxy-6-(Methoxymethyl)oxan-2-yl]oxyoxan SMILES: COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC

InChI-Schlüssel YLGXILFCIXHCMC-JHGZEJCSSA-N
IUPAC-Name (5R)-2,3,4-Trimethoxy-6-(Methoxymethyl)-5-[(2S)-3,4,5-Trimethoxy-6-(Methoxymethyl)oxan-2-yl]oxyoxan
PubChem CID 51063134
CAS 9004-67-5
MDL-Nummer MFCD00081763
Molekulargewicht (g/mol) 454.513
SMILES COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
Summenformel C20H38O11
8

Thermo Scientific Chemicals Methylcellulose, Viskosität 8000 cPs

CAS: 9004-67-5 Summenformel: C20H38O11 Molekulargewicht (g/mol): 454.513 MDL-Nummer: MFCD00081763 InChI-Schlüssel: YLGXILFCIXHCMC-JHGZEJCSSA-N PubChem CID: 51063134 IUPAC-Name: (5R)-2,3,4-Trimethoxy-6-(Methoxymethyl)-5-[(2S)-3,4,5-Trimethoxy-6-(Methoxymethyl)oxan-2-yl]oxyoxan SMILES: COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC

InChI-Schlüssel YLGXILFCIXHCMC-JHGZEJCSSA-N
IUPAC-Name (5R)-2,3,4-Trimethoxy-6-(Methoxymethyl)-5-[(2S)-3,4,5-Trimethoxy-6-(Methoxymethyl)oxan-2-yl]oxyoxan
PubChem CID 51063134
CAS 9004-67-5
MDL-Nummer MFCD00081763
Molekulargewicht (g/mol) 454.513
SMILES COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
Summenformel C20H38O11
9

p-Cresol Glucuronid, TRC

CAS: 17680-99-8 Summenformel: C13H16O7 Molekulargewicht (g/mol): 284.26 Synonym: 4-Methylphenyl β-D-Glucopyranosiduronic Acid,β-D-p-Tolyl-glucopyranosiduronic Acid,p-Tolyl-β-D-glucosiduronic Acid,4-Cresol Glucuronide,p-Methylphenyl-β-D-glucopyranosiduronic Acid,p-Tolyl-β-glucuronic Acid; IUPAC-Name: (3S,4S,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)Tetrahydropyran-2-Carbonsäure SMILES: Cc1ccc(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(=O)O)cc1

IUPAC-Name (3S,4S,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)Tetrahydropyran-2-Carbonsäure
CAS 17680-99-8
Molekulargewicht (g/mol) 284.26
SMILES Cc1ccc(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(=O)O)cc1
Synonym 4-Methylphenyl β-D-Glucopyranosiduronic Acid,β-D-p-Tolyl-glucopyranosiduronic Acid,p-Tolyl-β-D-glucosiduronic Acid,4-Cresol Glucuronide,p-Methylphenyl-β-D-glucopyranosiduronic Acid,p-Tolyl-β-glucuronic Acid;
Summenformel C13H16O7
10

D-(-)-Salicin, 99 %, Thermo Scientific Chemicals

CAS: 138-52-3 Summenformel: C13H18O7 Molekulargewicht (g/mol): 286.28 MDL-Nummer: MFCD00006590 InChI-Schlüssel: NGFMICBWJRZIBI-UJPOAAIJSA-N Synonym: salicin,salicoside,salicine,salicyl alcohol glucoside,d---salicin,2r,3s,4s,5r,6s-2-hydroxymethyl-6-2-hydroxymethyl phenoxy tetrahydro-2h-pyran-3,4,5-triol,saligenin beta-d-glucopyranoside,2-hydroxymethyl phenyl beta-d-glucopyranoside,d-salicin,saligenin-beta-d-glucopyranoside PubChem CID: 439503 ChEBI: CHEBI:17814 IUPAC-Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[2-(Hydroxymethyl)phenoxy]oxan-3,4,5-Triol SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O

InChI-Schlüssel NGFMICBWJRZIBI-UJPOAAIJSA-N
IUPAC-Name (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[2-(Hydroxymethyl)phenoxy]oxan-3,4,5-Triol
PubChem CID 439503
CAS 138-52-3
ChEBI CHEBI:17814
MDL-Nummer MFCD00006590
Molekulargewicht (g/mol) 286.28
SMILES C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
Synonym salicin,salicoside,salicine,salicyl alcohol glucoside,d---salicin,2r,3s,4s,5r,6s-2-hydroxymethyl-6-2-hydroxymethyl phenoxy tetrahydro-2h-pyran-3,4,5-triol,saligenin beta-d-glucopyranoside,2-hydroxymethyl phenyl beta-d-glucopyranoside,d-salicin,saligenin-beta-d-glucopyranoside
Summenformel C13H18O7
11

Saccharoseoctaacetat, 98 %, Thermo Scientific Chemicals

CAS: 126-14-7 Summenformel: C28H38O19 Molekulargewicht (g/mol): 678.59 InChI-Schlüssel: ZIJKGAXBCRWEOL-SAXBRCJISA-N Synonym: sucrose octaacetate,octaacetylsucrose,octa-o-acetylsucrose,d-+-sucrose octaacetate,fema no. 3038,sucrose octaacetate nf,d-+-saccharose octaacetate,2,3,4,6,1',3',4',6'-octa-o-acetylsucrose,alpha-d-glucopyranoside, 1,3,4,6-tetra-o-acetyl-beta-d-fructofuranosyl, tetraacetate PubChem CID: 31340 IUPAC-Name: [(2 R,3 R,4 S,5 R,6 R)-3,4,5 -triacetyloxy-6 -[(2 S,3,4 R,5 R)-3,4 -Diacetyloxy-2,5 -bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methylacetat SMILES: CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI-Schlüssel ZIJKGAXBCRWEOL-SAXBRCJISA-N
IUPAC-Name [(2 R,3 R,4 S,5 R,6 R)-3,4,5 -triacetyloxy-6 -[(2 S,3,4 R,5 R)-3,4 -Diacetyloxy-2,5 -bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methylacetat
PubChem CID 31340
CAS 126-14-7
Molekulargewicht (g/mol) 678.59
SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Synonym sucrose octaacetate,octaacetylsucrose,octa-o-acetylsucrose,d-+-sucrose octaacetate,fema no. 3038,sucrose octaacetate nf,d-+-saccharose octaacetate,2,3,4,6,1',3',4',6'-octa-o-acetylsucrose,alpha-d-glucopyranoside, 1,3,4,6-tetra-o-acetyl-beta-d-fructofuranosyl, tetraacetate
Summenformel C28H38O19
12

Desacetyl Bisacodyl Beta-D-Glucuronid, TRC

CAS: 31050-47-2 Summenformel: C24H23NO8 Molekulargewicht (g/mol): 453.44 Synonym: 4-[(4-Hydroxyphenyl)-2-pyridinylmethyl]phenyl β-D-Glucopyranosiduronic Acid,α-(p-Hydroxyphenyl)-α-2-pyridyl-p-tolyl Glucosiduronic Acid; IUPAC-Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-((4-Hydroxyphenyl)(Pyridin-2-yl)Methyl)Phenoxy)Tetrahydro-2H-pyran-2-Carboxylsäure SMILES: OC(C=C1)=CC=C1C(C2=CC=CC=N2)C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3

IUPAC-Name (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-((4-Hydroxyphenyl)(Pyridin-2-yl)Methyl)Phenoxy)Tetrahydro-2H-pyran-2-Carboxylsäure
CAS 31050-47-2
Molekulargewicht (g/mol) 453.44
SMILES OC(C=C1)=CC=C1C(C2=CC=CC=N2)C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3
Synonym 4-[(4-Hydroxyphenyl)-2-pyridinylmethyl]phenyl β-D-Glucopyranosiduronic Acid,α-(p-Hydroxyphenyl)-α-2-pyridyl-p-tolyl Glucosiduronic Acid;
Summenformel C24H23NO8
13

4-Acetamidophenyl Beta-D-Glucuronid-Natriumsalz, TRC

CAS: 120595-80-4 Summenformel: C14 H16 N O8 . Na Molekulargewicht (g/mol): 349.27 Synonym: β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, sodium salt (1:1),β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, monosodium salt (9CI),4-Acetamidophenyl β-D-glucuronide sodium salt,N-Acetyl-4-aminophenol glucuronide sodium salt,Acetaminophen glucuronide sodium salt,Paracetamol glucuronide sodium,Paracetamol β-D-glucuronide sodium salt,Paracetamol O-glucuronide sodium IUPAC-Name: Natrium; (2S,3S,4S,5R,6S)-6-(4-Paracetamidophenoxy)-3,4,5-Trihydroxyoxan-2-Carboxylat SMILES: [Na+].CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])cc1

IUPAC-Name Natrium; (2S,3S,4S,5R,6S)-6-(4-Paracetamidophenoxy)-3,4,5-Trihydroxyoxan-2-Carboxylat
CAS 120595-80-4
Molekulargewicht (g/mol) 349.27
SMILES [Na+].CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])cc1
Synonym β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, sodium salt (1:1),β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, monosodium salt (9CI),4-Acetamidophenyl β-D-glucuronide sodium salt,N-Acetyl-4-aminophenol glucuronide sodium salt,Acetaminophen glucuronide sodium salt,Paracetamol glucuronide sodium,Paracetamol β-D-glucuronide sodium salt,Paracetamol O-glucuronide sodium
Summenformel C14 H16 N O8 . Na
14

Methylparaben Beta-D-Glucuronid, TRC

Summenformel: C14H16O9 Molekulargewicht (g/mol): 328.27 Synonym: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(methoxycarbonyl)phenoxy)tetrahydro-2H-pyran-2-carboxylic Acid IUPAC-Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(Methoxycarbonyl)Phenoxy)Tetrahydro-2H-Pyran-2-Carbonsäure SMILES: COC(C1=CC=C(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C1)=O

IUPAC-Name (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(Methoxycarbonyl)Phenoxy)Tetrahydro-2H-Pyran-2-Carbonsäure
Molekulargewicht (g/mol) 328.27
SMILES COC(C1=CC=C(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C1)=O
Synonym (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(methoxycarbonyl)phenoxy)tetrahydro-2H-pyran-2-carboxylic Acid
Summenformel C14H16O9
15

4-tert-Octylphenol-Glucuronid, TRC

CAS: 309257-29-2 Summenformel: C20H30O7 Molekulargewicht (g/mol): 382.45 Synonym: beta-D-Glucopyranosiduronic acid 4-(1,1,3,3-Tetramethylbutyl)phenyl IUPAC-Name: (2S,3S,6S)-3,4,5-Trihydroxy-6-[4-(2,4,4-Trimethylpentan-2-yl)Phenoxy]oxan-2-Carbonsäure SMILES: CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(=O)O)cc1

IUPAC-Name (2S,3S,6S)-3,4,5-Trihydroxy-6-[4-(2,4,4-Trimethylpentan-2-yl)Phenoxy]oxan-2-Carbonsäure
CAS 309257-29-2
Molekulargewicht (g/mol) 382.45
SMILES CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(=O)O)cc1
Synonym beta-D-Glucopyranosiduronic acid 4-(1,1,3,3-Tetramethylbutyl)phenyl
Summenformel C20H30O7