ChemSpider 2D Image | matsudone A | C26H26O12

matsudone A

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID28639021

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-8,8-dimethyl- [ACD/Index Name]
matsudone A
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-8,8-diméthyl-4-oxo-4H,8H-pyrano[2,3-f]chromén-3-yle [French] [ACD/IUPAC Name]
7,8-(2'',2''-dimethylpyrano)-5,3',4'-trihydroxyflavone-3-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is 5,3',4'-trihydroxyflavone substituted by a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyloxy group at position 3 and a 2'',2''-dimethylpyrano ring fused across po sitions 7 and 8. Isolated from the leaves of <ital>Salix matsudana</ital>, it acts as a cyclooxygenase 2 inhibitor. ChEBI CHEBI:66685
      A glycosyloxyflavone that is 5,3',4'-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2'',2''-dimethylpyrano ring fused across po; sitions 7 and 8. Isolated from t he leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66685
      A glycosyloxyflavone that is 5,3',4'-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2'',2''-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor. ChEBI CHEBI:66685

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

Density: 1.7±0.1 g/cm3
Boiling Point: 876.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 297.6±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 21.19
ACD/KOC (pH 5.5): 291.23
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 18.12
Polar Surface Area: 196 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 106.6±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

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