ChemSpider 2D Image | 3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside | C28H32O17

3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside

  • Molecular FormulaC28H32O17
  • Average mass640.544 Da
  • Monoisotopic mass640.163940 Da
  • ChemSpider ID26346459

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside
4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
47858-32-2 [RN]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-methoxy- [ACD/Index Name]
7-(β-D-Glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one
β-D-Glucopyranoside de 4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-3-méthoxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is 3-<element>O</element>-methylquercetin attached to <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residues at positions 7 and 4<apostrophe/> respectively via glyc osidic linkages. It has been isolated from <ital>Ophioglossum pedunculosum</ital>. ChEBI CHEBI:67938
      A glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glyc; osidic linkages. It has been isolated from Ophioglossum peduncu losum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67938
      A glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculo sum. ChEBI CHEBI:67938

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1018.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.7±3.0 kJ/mol
Flash Point: 333.1±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 119.9±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

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