(10xi,13xi,14xi)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(10xi,13xi,14xi)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Compound characteristics
Compound ID: | 0449-0044 |
Compound Name: | (10xi,13xi,14xi)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide |
Molecular Weight: | 534.65 |
Molecular Formula: | C29 H42 O9 |
Smiles: | [H][C@@]12CCC3(C)[C@@H](CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC1CC(C(C(C)O1)O)O)O)O)C1COC(C=1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.2212 |
logD: | 0.2212 |
logSw: | -2.7383 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 112.806 |
InChI Key: | QBILRDAMJUPXCX-DROCLJNWSA-N |