rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[3-(1H-indol-3-yl)propanoyl]hydrazinylidene}card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[3-(1H-indol-3-yl)propanoyl]hydrazinylidene}card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[3-(1H-indol-3-yl)propanoyl]hydrazinylidene}card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0177 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[3-(1H-indol-3-yl)propanoyl]hydrazinylidene}card-20(22)-enolide |
| Molecular Weight: | 589.73 |
| Molecular Formula: | C34 H43 N3 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(CCc1c[nH]c2ccccc12)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8001 |
| logD: | 2.7993 |
| logSw: | -3.8675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 113.241 |
| InChI Key: | KRPFBYNIKWZMKJ-ZDMLQDAOSA-N |