HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trans-4-O-Beta-D-Glucopyranosylferulic Acid

Identifiers & Physical Properties
| CAS No. | 537-98-4 |
|---|---|
| Molecular formula | C16H20O9 |
| Average molar mass | 356.32 g/mol |
| SMILES | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChIKey | IEMIRSXOYFWPFD-BJGSYIFTSA-N |
| PubChem CID | 13916049 |
| ChEMBL | CHEMBL3403684 |
| ChEBI | CHEBI:139435 |
Chemical & Physical Properties
| XLogP | -1.1 |
|---|---|
| Topological polar surface area | 146 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 469 |