(10xi,13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(10xi,13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Compound characteristics
Compound ID: | 0449-0127 |
Compound Name: | (10xi,13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide |
Molecular Weight: | 550.65 |
Molecular Formula: | C29 H42 O10 |
Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC1C(C(C(C(C)O1)O)O)O)O)O)C1COC(C=1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | -0.4484 |
logD: | -0.4484 |
logSw: | -2.6072 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 128.768 |
InChI Key: | HULMNSIAKWANQO-ABMBFKPVSA-N |