(10xi,13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
Chemical Structure Depiction of
(10xi,13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
(10xi,13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
Compound characteristics
| Compound ID: | 0449-0145 |
| Compound Name: | (10xi,13xi,14xi,17xi)-3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide |
| Molecular Weight: | 985.14 |
| Molecular Formula: | C49 H76 O20 |
| 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)OC(C)=O)O)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2591 |
| logD: | 0.2591 |
| logSw: | -2.2529 |
| Hydrogen bond acceptors count: | 22 |
| Hydrogen bond donors count: | 8 |
| Polar surface area: | 228.54 |
| InChI Key: | JAYAGJDXJIDEKI-RIFOQIKPSA-N |