rel-(10xi,13xi,14xi,17xi,19E)-19-(2-carbamoylhydrazinylidene)-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-19-(2-carbamoylhydrazinylidene)-3,5,14-trihydroxycard-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-19-(2-carbamoylhydrazinylidene)-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | N023-0004 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-19-(2-carbamoylhydrazinylidene)-3,5,14-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C24 H35 N3 O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(N)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7573 |
| logD: | 0.7562 |
| logSw: | -2.8189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 124.553 |
| InChI Key: | GFJQQPYCTIQFPJ-QKTFAUCCSA-N |