rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxy-19-oxocard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxy-19-oxocard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0101 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3,5,14,19-tetrahydroxy-19-oxocard-20(22)-enolide |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C23 H32 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C(O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6361 |
| logD: | -1.6345 |
| logSw: | -2.7375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.676 |
| InChI Key: | XJIILRFVONGQOG-FIDJIQDSSA-N |