ChemSpider 2D Image | ophioglonol 4'-O-beta-D-glucopyranoside | C22H22O12

ophioglonol 4'-O-β-D-glucopyranoside

  • Molecular FormulaC22H22O12
  • Average mass478.403 Da
  • Monoisotopic mass478.111115 Da
  • ChemSpider ID26348377

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-3-(hydroxymethyl)- [ACD/Index Name]
850754-69-7 [RN]
ophioglonol 4'-O-β-D-glucopyranoside
β-D-Glucopyranoside de 4-[5,7-dihydroxy-3-(hydroxyméthyl)-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A homoflavonoid glycoside that is ophioglonol attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 4<apostrophe/> via a glycosidic linkage. It has been isolated fr om <ital>Ophioglossum pedunculosum</ital>. ChEBI CHEBI:67935
      A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated fr; om Ophioglossum pedunculosum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67935
      A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. ChEBI CHEBI:67935

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

Density: 1.7±0.1 g/cm3
Boiling Point: 870.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 303.7±27.8 °C
Index of Refraction: 1.736
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.22
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 101.2±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

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