(10xi,13xi,14xi,17xi)-3-[(6-deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi)-3-[(6-deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(10xi,13xi,14xi,17xi)-3-[(6-deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0129 |
| Compound Name: | (10xi,13xi,14xi,17xi)-3-[(6-deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide |
| Molecular Weight: | 712.79 |
| Molecular Formula: | C35 H52 O15 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C=O)OC1C(C(C(C(C)O1)OC1C(C(C(C(CO)O1)O)O)O)O)O)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.9493 |
| logD: | -1.9494 |
| logSw: | -2.6366 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 8 |
| Polar surface area: | 192.516 |
| InChI Key: | CAYUJEAJKPLCAV-DCKKTIJJSA-N |