ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-alpha-L-glucopyranosyl)-alpha-L-glucopyranoside | C33H40O14

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-glucopyranosyl)-α-L-glucopyranoside

  • Molecular FormulaC33H40O14
  • Average mass660.662 Da
  • Monoisotopic mass660.241821 Da
  • ChemSpider ID128925343

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-(6-deoxy-α-L-glucopyranosyl)-α-L-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-glucopyranosyl)-α-L-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-(6-desoxy-α-L-glucopyranosyl)-α-L-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-(6-désoxy-α-L-glucopyranosyl)-α-L-glucopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
135293-13-9 [RN]
2''-O-Rhamnosylicariside II

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

Density: 1.5±0.1 g/cm3
Boiling Point: 892.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 283.2±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 54.47
ACD/KOC (pH 5.5): 579.18
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 35.35
Polar Surface Area: 214 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

Click to predict properties on the Chemicalize site


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