Digitoxigenin-alpha-D-rhamnoside
3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-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: Evomonoside|Digitoxigenin-alpha-D-rhamnoside|3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-D-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
| Molecular Formula | C29H44O8 |
|---|---|
| Molecular Weight | 520.3036 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.3036 |
| Monoisotopic Mass | 520.3036 |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 6046-53-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O |
| InChIKey | WQMLFJWIKARBFW-ISVUHCLVSA-N |
Product Overview
Digitoxigenin-alpha-D-rhamnoside (CAS 6046-53-3), with molecular formula C29H44O8 and molecular weight 520.3036 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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