ChemSpider 2D Image | 2''-O-beta-D-glucosylisoscoparin | C28H32O16

2''-O-β-D-glucosylisoscoparin

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID30785651
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol [French] [ACD/IUPAC Name]
2''-O-β-D-glucosylisoscoparin
D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-2-O-β-D-glucopyranosyl-, (1S)- [ACD/Index Name]
isoscoparin 2''-O-glucoside
  • Miscellaneous
    • Chemical Class:

      A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by a <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl residue. ChEBI CHEBI:75518

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

Density: 1.8±0.1 g/cm3
Boiling Point: 990.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.3±3.0 kJ/mol
Flash Point: 325.3±27.8 °C
Index of Refraction: 1.753
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 349.9±5.0 cm3

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