(10xi,13xi,14xi,17xi,19E)-19-{2-[(2E)-3-(4-ethylphenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi,19E)-19-{2-[(2E)-3-(4-ethylphenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
(10xi,13xi,14xi,17xi,19E)-19-{2-[(2E)-3-(4-ethylphenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide
Compound characteristics
Compound ID: | K204-0003 |
Compound Name: | (10xi,13xi,14xi,17xi,19E)-19-{2-[(2E)-3-(4-ethylphenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]hydrazinylidene}-3,5,14-trihydroxycard-20(22)-enolide |
Molecular Weight: | 785.94 |
Molecular Formula: | C44 H55 N3 O10 |
Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(C[C@@H](CCC12/C=N/NC(/C(=C\c1ccc(CC)cc1)NC(c1cc(c(c(c1)OC)OC)OC)=O)=O)O)O)O)C1COC(C=1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3607 |
logD: | 4.1775 |
logSw: | -4.6999 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 148.486 |
InChI Key: | HJPRWCALBCEKJR-UCQDPVIZSA-N |