rel-(10xi,13xi,14xi,17xi)-3,19-bis[(3-carboxypropanoyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,19-bis[(3-carboxypropanoyl)oxy]-5,14-dihydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi)-3,19-bis[(3-carboxypropanoyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0119 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi)-3,19-bis[(3-carboxypropanoyl)oxy]-5,14-dihydroxycard-20(22)-enolide |
| Molecular Weight: | 606.67 |
| Molecular Formula: | C31 H42 O12 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12COC(CCC(O)=O)=O)OC(CCC(O)=O)=O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.3512 |
| logD: | -2.9186 |
| logSw: | -2.7135 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 149.416 |
| InChI Key: | PORLQGCIBQPFNX-VSIBLNRXSA-N |