8-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone
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Basic information
- CAS
57396-70-0- Standard SMILES
COc1cc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O- InChIKey
RTRPDMVGOFRVOY-LNBCOLIQSA-N- Molecular formula
- C22H22O12
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.11112613
Overview
8-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone has been reported in Setaria italica with data available.
Names & identifiers
- Preferred name
- 8-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- 8-(β-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone
- Molecular formula
- C22H22O12
- Molecular weight
- 478.4
Names & synonyms
DB-3183728-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone57396-70-08-(β-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
Database identifiers
- CAS
57396-70-0- PubChem CID
- 101288288
- Nikkaji
- J146.449C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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