Silenoside C
(1S,2R,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Silenoside C|(1S,2R,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one|1,2,3,14,20,25-Hexahydroxy-6-oxocholest-7-en-22-yl hexopyranoside|3-O-alpha-L-arabinopyranosyl(1->3)-(B-D-galactopyranosyl(1->2))-B-D-glucuronopyranosyl-3B-16alpha-dihydroxy-23-oxo-olean-12-en-28-oic acid 28-O-beta-D-xylopyranosyl(1->4)-(beta-D-glucopyranosyl(1->2))-alpha-L-rhamnopyranosyl(1->2)-beta-D-fucopyranoside|(14xi,22R)-1beta,2beta,3beta,14,20,25-Hexahydroxy-6-oxo-5beta-cholest-7-en-22-yl alpha-D-galactopyranoside
| Molecular Formula | C33H54O13 |
|---|---|
| Molecular Weight | 658.35645 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 658.35645 |
| Monoisotopic Mass | 658.35645 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 83207-65-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3([C@@H]([C@@H]([C@@H](C4)O)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O |
| InChIKey | IOJDAWSWQWSBHN-JRCWSXPQSA-N |
Product Overview
Silenoside C (CAS 83207-65-2), with molecular formula C33H54O13 and molecular weight 658.35645 g/mol. IUPAC: (1S,2R,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.