rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0098 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxycard-20(22)-enolide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C23 H34 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12CO)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6139 |
| logD: | 0.6139 |
| logSw: | -2.6922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.383 |
| InChI Key: | ZNDMLUUNNNHNKC-XPRCOTIISA-N |