rel-(10xi,13xi,14xi,17xi,19E)-19-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-19-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]-3,5,14-trihydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-19-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0144 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-19-[2-(5-bromo-2-hydroxybenzoyl)hydrazinylidene]-3,5,14-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 617.54 |
| Molecular Formula: | C30 H37 Br N2 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1cc(ccc1O)[Br])=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5754 |
| logD: | 3.5454 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.132 |
| InChI Key: | CZMITVFZEVPIFM-HBLBNTHMSA-N |