HuagongsheHuagongshe Chemistry Print Report · For research reference only
Peonidin 3-(6''-acetyl-galactoside)
Identifiers & Physical Properties
| CAS No. | 75-07-0 |
|---|---|
| Molecular formula | C24H25O12+ |
| Average molar mass | 505.4 g/mol |
| Monoisotopic mass | 505.13405266 g/mol |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChIKey | MBSKDCPWFSMEFD-ZKVZURMCSA-O |
| PubChem CID | 157009721 |
| DTXSID | DTXSID701341488 |
Chemical & Physical Properties
| Topological polar surface area | 176 |
|---|---|
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 7 |
| Heavy atoms | 36 |
| Formal charge | 1 |
| Complexity | 738 |