ChemSpider 2D Image | 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside | C21H22O10

2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID28533056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside
2-Propen-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3,5-dihydroxy-4-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2',4,4',6'-tetrahydroxychalcone 4'-O-&β;-D-glucoside
2',4,4',6'-tetrahydroxychalcone 4'-O-β-glucoside
3,5-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl β-D-glucopyranoside
Chalconaringenin 4'-glucoside
-D-glucoside
More...
  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucoside in which a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue is attached at position 4' of 2',4,4',6'-tetrahydroxychalcone via a glyc osidic linkage. ChEBI CHEBI:66906
      A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of 2',4,4',6'-tetrahydroxychalcone via a glyc; osidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66906
      A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of 2',4,4',6'-tetrahydroxychalcone via a glycosidic linkage. ChEBI CHEBI:66906

    • Compound Source:

      aurone biosynthesis PlantCyc CPD-8632
      Linum usitatissimum PlantCyc CPD-8632
      Salvia miltiorrhiza PlantCyc CPD-8632

    • Bio Activity:

      2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside + oxygen -> aureusidin 6-O-glucoside + H2O PlantCyc CPD-8632
      UDP-alpha-D-glucose + naringenin chalcone -> 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside + UDP + H+ PlantCyc CPD-8632
      UDP-alpha-D-glucose + naringenin chalcone -> UDP + 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside + H+ PlantCyc CPD-8632

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

Density: 1.6±0.1 g/cm3
Boiling Point: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 284.9±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 55.93
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 177 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 84.8±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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