7,2'-Dihydroxy-3',4'-dimethoxyisoflavane-7-O-glucoside
Basic information
- CAS
94367-43-8- Standard SMILES
COc1ccc(C2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3C2)c(O)c1OC- InChIKey
SXHOGLPTLQBGDO-ZPHFBNLKSA-N- Molecular formula
- C23H28O10
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.16824709
Overview
Isomucronulatol 7-O-glucoside is an acrovestone and an isoflavonoid.
Names & identifiers
- Preferred name
- 7,2'-Dihydroxy-3',4'-dimethoxyisoflavane-7-O-glucoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 7,2'-dihydroxy-3',4'-dimethoxyisoflavane-7-O-glucoside
- Molecular formula
- C23H28O10
- Molecular weight
- 464.46
Names & synonyms
94367-43-87,2'-Dihydroxy-3',4'-dimethoxyisoflavane-7-O-glucoside7,2'-dihydroxy-3',4'-dimethoxy-isoflavane-7-O-glucosideRefChem:105479Isomucronulatol 7-O-glucoside(2S,3R,4S,5S,6R)-2-((3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[[3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol7,2'-Dihydroxy-3',4'-dimethoxyisoflavan 7-O-beta-D-glucoside7,2 inverted exclamation marka-Dihydroxy-3 inverted exclamation marka,4 inverted exclamation marka-dimethoxyisoflavan 7-O-|A-D-glucoside7-Ddifg2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside3,4-Dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-1-benzopyran-7-yl beta-D-glucopyranoside
Show more names
7,2'-Dihydroxy-3',4'-……(Iso)-Isomucronulatol 7-O-glucoside2'-hydroxy-3',4'-dimethoxy isoflavan-7-O-β-D-glucoside7,2'-Dihydroxy-3',4'-dimethoxyisoflavan 7-O-β-D-glucoside
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 622
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavans [PK1208]
Physicochemical properties
- Boiling point
- 641.5 · 641.5±55.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.45(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesIsomucronulatol 7-O-Glucoside is an isoflavan providing antioxidant effects.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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