HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pteroside A
PTEROSINA · (S)-6-[2-(β-D-glucopyranosyloxy)ethyl]-2-(hydroxymethyl)-2,5,7-trimethyl-1-indanone · 1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-, (2S)-
Identifiers & Physical Properties
| CAS No. | 35910-15-7 |
|---|---|
| Molecular formula | C21H30O8 |
| Average molar mass | 410.5 g/mol |
| Monoisotopic mass | 410.19406791 g/mol |
| SMILES | Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2 |
| InChIKey | UTBLUTBCAVVCIO-HPCBLLCTSA-N |
| PubChem CID | 169727 |
| ChEBI | CHEBI:176016 |
| DTXSID | DTXSID00957328 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 137 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 6 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 585 |
| Boiling point | 662.9±55.0 °C(Predicted) |
| Density | 1.38±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.93±0.70(Predicted) |
Applications & Uses
Uses
Pterosin A is used for treating diabetes and obesity.