HuagongsheHuagongshe Chemistry Print Report · For research reference only
Staunoside D
staunoside D · Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-23-hydroxy-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β,4α)- (9CI)
Identifiers & Physical Properties
| CAS No. | 155661-20-4 |
|---|---|
| Molecular formula | C60H98O29 |
| Average molar mass | 1,283.4 g/mol |
| Monoisotopic mass | 1,282.61937708 g/mol |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| InChIKey | RHHBVUMTZVPZLL-UHFFFAOYSA-N |
| PubChem CID | 190814 |
Chemical & Physical Properties
| XLogP | -2.5 |
|---|---|
| Topological polar surface area | 474 |
| Hydrogen bond donors | 18 |
| Hydrogen bond acceptors | 29 |
| Rotatable bonds | 17 |
| Heavy atoms | 89 |
| Formal charge | 0 |
| Complexity | 2,460 |
| Density | 1.55±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.50±0.70(Predicted) |