Glucodigifucoside
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Glucodigifucoside|methyl benzohydroxamate|KST-1A3449|3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|B0005-053625|(3|A,5|A)-3-{[(4xi)-6-deoxy-4-o-(|A-d-glucopyranosyl)-l-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|3-[(6-Deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|3-(3-(3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one|3-[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|3|A-[(4-O-|A-D-Glucopyranosyl-6-deoxy-L-galactopyranosyl)oxy]-14-hydroxy-5|A-card-20(22)-enolide|3beta-[(4-O-beta-D-Glucopyranosyl-6-deoxy-L-galactopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide|3beta-{[(4xi)-6-Deoxy-4-O-beta-D-glucopyranosyl-L-xylo-hexopyranosyl]oxy}-14-hydroxy-5beta-card-20(22)-enolide|4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one|Card-20(22)-enolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-L-galactopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
| Molecular Formula | C35H54O13 |
|---|---|
| Molecular Weight | 682.35645 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 682.35645 |
| Monoisotopic Mass | 682.35645 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 28360-79-4 |
|---|---|
| SMILES | C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | OQZGLOBKVNEEPK-HYYJYYHTSA-N |
Product Overview
Glucodigifucoside (CAS 28360-79-4), with molecular formula C35H54O13 and molecular weight 682.35645 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.