rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(2-phenylhydrazinylidene)card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(2-phenylhydrazinylidene)card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(2-phenylhydrazinylidene)card-20(22)-enolide
Compound characteristics
Compound ID: | N023-0005 |
Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(2-phenylhydrazinylidene)card-20(22)-enolide |
Molecular Weight: | 494.63 |
Molecular Formula: | C29 H38 N2 O5 |
Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/Nc1ccccc1)O)O)O)C1COC(C=1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.775 |
logD: | 0.2065 |
logSw: | -4.0535 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 89.405 |
InChI Key: | XQYWJIDANYBAFF-BUYAGVQVSA-N |