HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl gallate 4-glucuronide
Identifiers & Physical Properties
| CAS No. | 1456546-88-5 |
|---|---|
| Molecular formula | C15H18O11 |
| Average molar mass | 374.3 g/mol |
| Monoisotopic mass | 374.08491139 g/mol |
| SMILES | CCOC(=O)c1cc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |
| InChIKey | ZHTVVEZJLVVZOT-YGMDGNCASA-N |
| PubChem CID | 156908321 |
Chemical & Physical Properties
| XLogP | -0.5 |
|---|---|
| Topological polar surface area | 183 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 6 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 500 |