HuagongsheHuagongshe Chemistry Print Report · For research reference only
Saponin D, hupehensis
saponin D, hupehensis · Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-ribopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
Identifiers & Physical Properties
| CAS No. | 152464-75-0 |
|---|---|
| Molecular formula | C70H114O34 |
| Average molar mass | 1,499.6 g/mol |
| SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| InChIKey | ZOOKJZBDACIZLI-UHFFFAOYSA-N |
| PubChem CID | 192586 |
Chemical & Physical Properties
| XLogP | -3.9 |
|---|---|
| Topological polar surface area | 531 |
| Hydrogen bond donors | 19 |
| Hydrogen bond acceptors | 34 |
| Rotatable bonds | 18 |
| Heavy atoms | 104 |
| Formal charge | 0 |
| Complexity | 2,950 |
| Density | 1.53±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.50±0.70(Predicted) |