(10xi,13xi,14xi,17xi,19E)-19-{2-[(2Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi,19E)-19-{2-[(2Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
(10xi,13xi,14xi,17xi,19E)-19-{2-[(2Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | K087-0419 |
| Compound Name: | (10xi,13xi,14xi,17xi,19E)-19-{2-[(2Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 697.83 |
| Molecular Formula: | C40 H47 N3 O8 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(/C(=C/c1ccc(cc1)OC)NC(c1ccccc1)=O)=O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5266 |
| logD: | 2.2722 |
| logSw: | -4.4984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 133.052 |
| InChI Key: | ODMURZJQPKNHPV-WZJUFJHOSA-N |