rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Compound characteristics
| Compound ID: | N023-0007 |
| Compound Name: | rel-(10xi,13xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C25 H37 N O6 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/CCO)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6419 |
| logD: | 0.6419 |
| logSw: | -2.6925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.699 |
| InChI Key: | ADHLLVLYTWRLEA-XDORGHEUSA-N |