Scillipheoside
5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scillipheoside|Scilliphaosid [German]|AC1L1JS7|BRN 0071892|3-[(6-Deoxyhexopyranosyl)oxy]-12,14-dihydroxybufa-4,20,22-trienolide|3-beta-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxybufa-4,20,22-trienolide|(8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-12beta,14-dihydroxybufa-4,20,22-trienolide|5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one|Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxy-
| Molecular Formula | C30H42O9 |
|---|---|
| Molecular Weight | 546.2829 g/mol |
| LogP | 1.98 |
| Topological Polar Surface Area | 149.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 546.2829 |
| Heavy Atoms | 39 |
| Complexity | 1160.7 |
Chemical Identifiers
| CAS Number | 21256-71-3 |
|---|---|
| SMILES | CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4C[C@H]([C@@]5([C@H](CC[C@@]5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)O)C)O)O)O |
Product Overview
Scillipheoside (CAS 21256-71-3), with molecular formula C30H42O9 and molecular weight 546.2829 g/mol. IUPAC: 5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
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