rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinylidene]-10xi-card-20(22)-enolide
Chemical Structure Depiction of
rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinylidene]-10xi-card-20(22)-enolide
rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinylidene]-10xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0034 |
| Compound Name: | rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinylidene]-10xi-card-20(22)-enolide |
| Molecular Weight: | 612.73 |
| Molecular Formula: | C35 H40 N4 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1cc2c3ccccc3[nH]c2cn1)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.402 |
| logD: | 3.398 |
| logSw: | -4.2232 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 121.785 |
| InChI Key: | WZWGNRJBHXWMMT-DPRPJDFHSA-N |