ChemSpider 2D Image | Complanatoside A | C27H30O18

Complanatoside A

  • Molecular FormulaC27H30O18
  • Average mass642.516 Da
  • Monoisotopic mass642.143188 Da
  • ChemSpider ID30773361

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

146501-37-3 [RN]
4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,6-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
Complanatoside A
Myricetin 3,4'-di-O-β-glucopyranoside
β-D-Glucopyranoside de 4-[3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]-2,6-dihydroxyphényle [French] [ACD/IUPAC Name]
2-(3,5-dihydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
2-[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
complanatosidea
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.0±0.1 g/cm3
    Boiling Point: 1103.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 169.9±3.0 kJ/mol
    Flash Point: 361.9±27.8 °C
    Index of Refraction: 1.808
    Molar Refractivity: 141.2±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 12
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -1.78
    ACD/LogD (pH 5.5): -2.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.41
    ACD/LogD (pH 7.4): -3.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 306 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 151.0±5.0 dyne/cm
    Molar Volume: 328.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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