Sandolanid
[6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
Also Known As: Sandolanid|alpha-Acetyldigoxin|[6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate|3-{[3-o-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->6)-2,4-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.4402 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 209.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.4402 |
| Heavy Atoms | 58 |
| Complexity | 1530.2 |
Chemical Identifiers
| CAS Number | 56795-65-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OCC3CC(CC(O3)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)O)C)OC(=O)C)O |
Product Overview
Sandolanid (CAS 56795-65-4), with molecular formula C43H66O15 and molecular weight 822.4402 g/mol. IUPAC: [6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate.
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