(10xi,13xi,17xi)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-14xi-card-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,17xi)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-14xi-card-20(22)-enolide
(10xi,13xi,17xi)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-14xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0122 |
| Compound Name: | (10xi,13xi,17xi)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-14xi-card-20(22)-enolide |
| Molecular Weight: | 710.82 |
| Molecular Formula: | C36 H54 O14 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC1CC(C(C(C)O1)OC1C(C(C(C(CO)O1)O)O)O)OC)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.9025 |
| logD: | -0.9025 |
| logSw: | -2.7161 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 167.939 |
| InChI Key: | FHIREUBIEIPPMC-KSCQWSTKSA-N |