ChemSpider 2D Image | (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside | C34H48O18

(+)-lyoniresinol 4,4'-bis-O-β-D-glucopyranoside

  • Molecular FormulaC34H48O18
  • Average mass744.734 Da
  • Monoisotopic mass744.284058 Da
  • ChemSpider ID9483641
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(+)-lyoniresinol 4,4'-bis-O-β-D-glucopyranoside
4-[(1S,2R,3R)-7-(β-D-Glucopyranosyloxy)-2,3-bis(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-2,6-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,2R,3R)-7-(β-D-Glucopyranosyloxy)-2,3-bis(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-1-naphthalinyl]-2,6-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(1S,2R,3R)-7-(β-D-glucopyranosyloxy)-2,3-bis(hydroxyméthyl)-6,8-diméthoxy-1,2,3,4-tétrahydro-1-naphtalényl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6R,7R,8S)-8-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-5,6,7,8-tetrahydro-6,7-bis(hydroxymethyl)-1,3-dimethoxy-2-naphthalenyl [ACD/Index Name]
4-[(1S,2R,3R)-7-(β-D-glucopyranosyloxy)-2,3-bis(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside
  • Miscellaneous
    • Chemical Class:

      A lignan that consists of (+)-lyoniresinol attached to two <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl units at positions 4 and 4' via glycosidic linkages. Isolated from <ital>Indigofera h eterantha</ital>, it exhibits inhibitory activity against lipoxygenase. ChEBI CHEBI:66605

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

Density: 1.5±0.1 g/cm3
Boiling Point: 951.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.3±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.81
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 507.8±3.0 cm3

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