4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-phenyl-
Basic information
- CAS
68592-13-2- Standard SMILES
O=c1c(O)c(-c2ccccc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12- InChIKey
KITQZTHJDLCXMR-HMGRVEAOSA-N- Molecular formula
- C21H20O10
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.10564683
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-phenyl-
- IUPAC
- 3,5-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Names & synonyms
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-phenyl-68592-13-2DTXSID30218691RefChem:297376DTXCID80141182Galangin 7-glucosidegalangin-7-glucosideLMPK121116343,5-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranoside
Database identifiers
- CAS
68592-13-2- PubChem CID
- 5488495
- DTXSID
DTXSID30218691
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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