rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0188 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(4-hydroxy-3-methoxybenzoyl)hydrazinylidene]card-20(22)-enolide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C31 H40 N2 O8 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1ccc(c(c1)OC)O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6235 |
| logD: | 1.5701 |
| logSw: | -3.0514 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.762 |
| InChI Key: | LYPHLZMFSLKUPV-DCYWUBIBSA-N |