HuagongsheHuagongshe Chemistry Print Report · For research reference only
Staunoside E
staunoside E · 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-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)- (9CI)
Identifiers & Physical Properties
| CAS No. | 155661-21-5 |
|---|---|
| Molecular formula | C66H108O33 |
| Average molar mass | 1,429.5 g/mol |
| Monoisotopic mass | 1,428.6772859 g/mol |
| SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| InChIKey | PRAVTQRLNMDWKH-UHFFFAOYSA-N |
| PubChem CID | 190815 |
Chemical & Physical Properties
| XLogP | -4.1 |
|---|---|
| Topological polar surface area | 532 |
| Hydrogen bond donors | 20 |
| Hydrogen bond acceptors | 33 |
| Rotatable bonds | 19 |
| Heavy atoms | 99 |
| Formal charge | 0 |
| Complexity | 2,770 |
| Density | 1.56±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.50±0.70(Predicted) |