rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[1-(4-methylbenzene-1-sulfonyl)piperidine-3-carbonyl]hydrazinylidene}-10xi-card-20(22)-enolide
Chemical Structure Depiction of
rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[1-(4-methylbenzene-1-sulfonyl)piperidine-3-carbonyl]hydrazinylidene}-10xi-card-20(22)-enolide
rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[1-(4-methylbenzene-1-sulfonyl)piperidine-3-carbonyl]hydrazinylidene}-10xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0331 |
| Compound Name: | rel-(13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{2-[1-(4-methylbenzene-1-sulfonyl)piperidine-3-carbonyl]hydrazinylidene}-10xi-card-20(22)-enolide |
| Molecular Weight: | 683.87 |
| Molecular Formula: | C36 H49 N3 O8 S |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(C1CCCN(C1)S(c1ccc(C)cc1)(=O)=O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8292 |
| logD: | 2.8286 |
| logSw: | -4.2084 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 135.228 |
| InChI Key: | KLYYCWJVKBHYCS-JIXYOBPRSA-N |