Basic information
- CAS
172428-47-6- Standard SMILES
O=c1c(O)c(-c2c(O)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc2cc(O)cc(O)c12- InChIKey
WLCYEFFWFTVKQR-GFOOFYSOSA-N- Molecular formula
- C21H20O12
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.09547607
Overview
2'-(beta-D-Glucopyranosyloxy)-3,5,6',7-tetrahydroxyflavone has been reported in Scutellaria amoena with data available.
Names & identifiers
- Preferred name
- 2'-(beta-D-Glucopyranosyloxy)-3,5,6',7-tetrahydroxyflavone
- IUPAC
- 3,5,7-trihydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Names & synonyms
172428-47-62'-(beta-D-Glucopyranosyloxy)-3,5,6',7-tetrahydroxyflavone3,5,7-trihydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-oneCompound NP-017380DTXSID201349851LMPK12111621AKOS040735571
Database identifiers
- CAS
172428-47-6- PubChem CID
- 51136588
- DTXSID
DTXSID201349851- Nikkaji
- J685.343I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
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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