rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(1H-indol-3-yl)butanoyl]hydrazinylidene}card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(1H-indol-3-yl)butanoyl]hydrazinylidene}card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(1H-indol-3-yl)butanoyl]hydrazinylidene}card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0309 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[4-(1H-indol-3-yl)butanoyl]hydrazinylidene}card-20(22)-enolide |
| Molecular Weight: | 603.76 |
| Molecular Formula: | C35 H45 N3 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(CCCc1c[nH]c2ccccc12)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9377 |
| logD: | 2.9366 |
| logSw: | -3.9707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 113.241 |
| InChI Key: | ZYTDUBAINAFDKV-ZQDHRAPMSA-N |