(10xi,13xi,14xi,17xi)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
(10xi,13xi,14xi,17xi)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0151 |
| Compound Name: | (10xi,13xi,14xi,17xi)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide |
| Molecular Weight: | 576.73 |
| Molecular Formula: | C32 H48 O9 |
| Smiles: | [H]C12CC[C@@]3([H])C4(CC(C(C5COC(C=5)=O)C4(C)CC[C@]3([H])C2(C)CCC(C1)OC1CC(C(C(C)O1)O)OC)OC(C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2124 |
| logD: | 2.2124 |
| logSw: | -3.7878 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.221 |
| InChI Key: | JLPDBLFIVFSOCC-WJZUDLCASA-N |