ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(3xi)-beta-D-ribo-hexopyranosyl]-beta-D-glucopyranoside | C27H30O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(3ξ)-β-D-ribo-hexopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID58829724
  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-[(3ξ)-β-D-ribo-hexopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-[(3ξ)-β-D-ribo-hexopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[6-O-[(3ξ)-β-D-ribo-hexopyranosyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy- [ACD/Index Name]
6-O-[(3ξ)-β-D-ribo-Hexopyranosyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Compound Source:

      Ananas comosus PlantCyc CPD-14820
      Arabidopsis halleri PlantCyc CPD-14820
      Arabidopsis lyrata PlantCyc CPD-14820
      Arabidopsis thaliana col PlantCyc CPD-14820
      Boechera stricta PlantCyc CPD-14820
      Brassica napus PlantCyc CPD-14820
      Brassica oleracea var. capitata PlantCyc CPD-14820
      Brassica oleracea var. oleracea PlantCyc CPD-14820
      Brassica rapa FPsc PlantCyc CPD-14820
      Brassica rapa subsp. pekinensis PlantCyc CPD-14820
      Calotropis gigantea PlantCyc CPD-14820
      Capsella grandiflora PlantCyc CPD-14820
      Capsella rubella PlantCyc CPD-14820
      Capsicum annuum PlantCyc CPD-14820
      Catharanthus roseus PlantCyc CPD-14820
      Cucumis sativus PlantCyc CPD-14820
      Daucus carota subsp. sativus PlantCyc CPD-14820
      Eucalyptus grandis PlantCyc CPD-14820
      Eutrema salsugineum PlantCyc CPD-14820
      Linum usitatissimum PlantCyc CPD-14820
      Mimulus guttatus PlantCyc CPD-14820
      Olea europaea var. sylvestris PlantCyc CPD-14820
      Petunia axillaris PlantCyc CPD-14820
      Populus trichocarpa PlantCyc CPD-14820
      quercetin gentiotetraside biosynthesis PlantCyc CPD-14820
      quercetin glycoside biosynthesis (Arabidopsis) PlantCyc CPD-14820
      Salvia miltiorrhiza PlantCyc CPD-14820
      Solanum melongena PlantCyc CPD-14820
      Solanum pennellii PlantCyc CPD-14820
      Solanum tuberosum PlantCyc CPD-14820
      Thellungiella parvula PlantCyc CPD-14820
      Triticum aestivum PlantCyc CPD-14820
    • Bio Activity:

      quercetin-3-gentiobioside + UDP-alpha-D-glucose -> quercetin-3-gentiotrioside + UDP + H+ PlantCyc CPD-14820
      quercetin-3-gentiobioside + UDP-beta-L-rhamnose -> quercetin 3-O-gentiobioside-7-O-rhamnoside + UDP + H+ PlantCyc CPD-14820
      quercetin-3-glucoside + UDP-alpha-D-glucose -> quercetin-3-gentiobioside + UDP PlantCyc CPD-14820
      UDP-alpha-D-glucose + quercetin-3-gentiobioside + quercetin-3-gentiobioside + UDP-alpha-D-glucose -> UDP + quercetin-3-gentiotrioside + UDP + H+ + H+ PlantCyc CPD-14820

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 1033.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.2±3.0 kJ/mol
Flash Point: 340.6±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 137.6±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

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