ChemSpider 2D Image | quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside | C42H46O23

quercetin 3-O-α-L-[6'''-p-coumaroyl-β-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-β-D-glucopyranoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID8366845

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

143016-73-3 [RN]
3-[(6-Deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hyd roxy- [ACD/Index Name]
quercetin 3-O-α-L-[6'''-p-coumaroyl-β-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-β-D-glucopyranoside
β-D-Glucopyranoside de 3-[(6-désoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-[(6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
missing
  • Miscellaneous

    • Chemical Class:

      A quercetin <element>O</element>-glucoside that consists of quercetin attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl moiety at position 7 and a <stereo>alpha</stereo>-<stereo>L< /stereo>-6'''-<ital>p</ital>-coumaroyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>2)-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from th e leaves of <ital>Ginkgo biloba</ital>, it exhibits antioxidant activity. ChEBI CHEBI:66286
      A quercetin O-glucoside that consists of quercetin attached to a beta-D-glucopyranosyl moiety at position 7 and a alpha-<stereo>L<; /stereo>-6'''-p-coumaroyl-beta-D-glucopyranosyl-(1right2)-rhamnopyra nosyl residue at position 3 via a glycosidic linkage. Isolated from th; e leaves of Ginkgo biloba, it exhibits antioxidant activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66286
      A quercetin O-glucoside that consists of quercetin attached to a beta-D-glucopyranosyl moiety at position 7 and a alpha-L-6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl residue at posit ion 3 via a glycosidic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity. ChEBI CHEBI:66286

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1240.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.6±3.0 kJ/mol
Flash Point: 371.4±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.51
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 518.6±5.0 cm3

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