(13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,11,14,19-tetrahydroxy-10xi-card-20(22)-enolide
Chemical Structure Depiction of
(13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,11,14,19-tetrahydroxy-10xi-card-20(22)-enolide
(13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,11,14,19-tetrahydroxy-10xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0125 |
| Compound Name: | (13xi,14xi,17xi)-3-[(6-deoxyhexopyranosyl)oxy]-5,11,14,19-tetrahydroxy-10xi-card-20(22)-enolide |
| Molecular Weight: | 568.66 |
| Molecular Formula: | C29 H44 O11 |
| Smiles: | [H][C@@]12[C@@H](CC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12CO)OC1C(C(C(C(C)O1)O)O)O)O)O)C1COC(C=1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.8479 |
| logD: | -0.8479 |
| logSw: | -2.5965 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 147.339 |
| InChI Key: | BUGNRCRUPAIYMD-WUNDEPHJSA-N |