rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(pyridine-4-carbonyl)hydrazinylidene]card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(pyridine-4-carbonyl)hydrazinylidene]card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(pyridine-4-carbonyl)hydrazinylidene]card-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0166 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(pyridine-4-carbonyl)hydrazinylidene]card-20(22)-enolide |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C29 H37 N3 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(c1ccncc1)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1671 |
| logD: | 1.1632 |
| logSw: | -2.871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.012 |
| InChI Key: | KOOLFLATVPVRQD-AHUUMNLJSA-N |