rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-{2-[4-(methylcarbamamido)benzoyl]hydrazinylidene}card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-{2-[4-(methylcarbamamido)benzoyl]hydrazinylidene}card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-{2-[4-(methylcarbamamido)benzoyl]hydrazinylidene}card-20(22)-enolide
Compound characteristics
| Compound ID: | K204-0006 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19Z)-3,5,14-trihydroxy-19-{2-[4-(methylcarbamamido)benzoyl]hydrazinylidene}card-20(22)-enolide |
| Molecular Weight: | 594.71 |
| Molecular Formula: | C32 H42 N4 O7 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12\C=N/NC(c1ccc(cc1)NC(NC)=O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6679 |
| logD: | 1.6668 |
| logSw: | -3.1988 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 137.631 |
| InChI Key: | PNZGSNYJSGYHLU-VUCXDFMISA-N |