ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl (3xi)-2-O-[(3xi)-beta-D-ribo-hexopyranosyl]-D-xylo-hexopyranoside | C32H38O16

3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl (3ξ)-2-O-[(3ξ)-β-D-ribo-hexopyranosyl]-D-xylo-hexopyranoside

  • Molecular FormulaC32H38O16
  • Average mass678.635 Da
  • Monoisotopic mass678.216003 Da
  • ChemSpider ID28284659

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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(3ξ)-2-O-[(3ξ)-β-D-ribo-Hexopyranosyl]-D-xylo-hexopyranoside de 3,5-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl (3ξ)-2-O-[(3ξ)-β-D-ribo-hexopyranosyl]-D-xylo-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-(3ξ)-2-O-[(3ξ)-β-D-ribo-hexopyranosyl]-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[(3ξ)-2-O-[(3ξ)-β-D-ribo-hexopyranosyl]-D-xylo-hexopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
8-(3,3-dimethylallyl)-4',5,7-trihydroxyflavonol 7-[O-b-D-glucopyranosyl-(1®2)-b-D-glucopyranoside](1®2)-b-D-glucopyranoside]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 995.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.0±3.0 kJ/mol
Flash Point: 317.6±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.23
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 104.3±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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