HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S)-2-((2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
SILANDRIN hplc

Identifiers & Physical Properties
| CAS No. | 70815-32-6 |
|---|---|
| Molecular formula | C25H22O9 |
| Average molar mass | 466.4 g/mol |
| Monoisotopic mass | 466.12638228 g/mol |
| SMILES | COc1cc([C@H]2Oc3ccc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)cc3O[C@@H]2CO)ccc1O |
| InChIKey | CRPGUMMYQABYES-DNVKUUNQSA-N |
| PubChem CID | 441663 |
| ChEBI | CHEBI:9138 |
| DTXSID | DTXSID60331605 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 135 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 4 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 718 |
| Lipids | Polyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214] |