Identifiers & Physical Properties
| CAS No. | 529-39-5 |
|---|
| Molecular formula | C22H24O10 |
|---|
| Average molar mass | 448.4 g/mol |
|---|
| Monoisotopic mass | 448.13694696 g/mol |
|---|
| SMILES | COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O |
|---|
| InChIKey | NEPMMBQHELYZIW-YMTXFHFDSA-N |
|---|
| PubChem CID | 73607 |
|---|
| ChEMBL | CHEMBL495847 |
|---|
| ChEBI | CHEBI:81054 |
|---|
| DTXSID | DTXSID20967363 |
|---|
Chemical & Physical Properties
| XLogP | 0.4 |
|---|
| Topological polar surface area | 155 |
|---|
| Hydrogen bond donors | 5 |
|---|
| Hydrogen bond acceptors | 10 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 32 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 638 |
|---|
