(13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxy-10xi-card-20(22)-enolide
Chemical Structure Depiction of
(13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxy-10xi-card-20(22)-enolide
(13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxy-10xi-card-20(22)-enolide
Compound characteristics
| Compound ID: | N045-0007 |
| Compound Name: | (13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxy-10xi-card-20(22)-enolide |
| Molecular Weight: | 943.1 |
| Molecular Formula: | C47 H74 O19 |
| Smiles: | [H]C12CC[C@@]3([H])C4(CCC(C5COC(C=5)=O)C4(C)C(C[C@]3([H])C2(C)CCC(C1)OC1CC(C(C(C)O1)OC1CC(C(C(C)O1)OC1CC(C(C(C)O1)OC1C(C(C(C(CO)O1)O)O)O)O)O)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.4639 |
| logD: | -0.4639 |
| logSw: | -2.0485 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 9 |
| Polar surface area: | 223.947 |
| InChI Key: | OBATZBGFDSVCJD-GGBWJOJTSA-N |