ChemSpider 2D Image | Oroxin B | C27H30O15

Oroxin B

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID8252745

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

114482-86-9 [RN]
4H-1-Benzopyran-4-one, 7-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,6-dihydroxy-2-phenyl- [ACD/Index Name]
5,6,7-Trihydroxyflavone 7-diglucoside
5,6-dihydroxy-2-phenyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
5,6-dihydroxy-2-phenyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 5,6-dihydroxy-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Baicalein 7-gentiobioside
Baicalein 7-O-diglucoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 957.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 146.1±3.0 kJ/mol
    Flash Point: 318.1±27.8 °C
    Index of Refraction: 1.745
    Molar Refractivity: 136.9±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -0.57
    ACD/LogD (pH 5.5): -1.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.82
    ACD/LogD (pH 7.4): -2.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 245 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 115.4±5.0 dyne/cm
    Molar Volume: 337.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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