(10xi,13xi,14xi,17xi)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
(10xi,13xi,14xi,17xi)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0126 |
| Compound Name: | (10xi,13xi,14xi,17xi)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide |
| Molecular Weight: | 550.69 |
| Molecular Formula: | C30 H46 O9 |
| Smiles: | [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12CO)OC1CC(C(C(C)O1)O)OC)O)O)C1COC(C=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4154 |
| logD: | 0.4154 |
| logSw: | -2.7414 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.147 |
| InChI Key: | WPKQVDYSPWCVGM-NDFFIYQLSA-N |