ChemSpider 2D Image | Ziyuglycoside I | C41H66O13

Ziyuglycoside I

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID28424531

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-19-hydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
35286-58-9 [RN]
Ziyuglycoside I
β-D-Glucopyranose, 1-O-[(3β)-3-(α-L-arabinopyranosyloxy)-19-hydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[35286-58-9] [RN]
1-O-[(3b)-3-(a-L-Arabinopyranosyloxy)-19-hydroxy-28-oxours-12-en-28-yl]-b-D-glucopyranose
Gouguside 7
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 841.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 139.1±6.0 kJ/mol
    Flash Point: 247.2±27.8 °C
    Index of Refraction: 1.610
    Molar Refractivity: 196.4±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 8
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 4
    ACD/LogP: 6.59
    ACD/LogD (pH 5.5): 5.12
    ACD/BCF (pH 5.5): 4551.58
    ACD/KOC (pH 5.5): 14457.92
    ACD/LogD (pH 7.4): 5.12
    ACD/BCF (pH 7.4): 4551.50
    ACD/KOC (pH 7.4): 14457.66
    Polar Surface Area: 216 Å2
    Polarizability: 77.9±0.5 10-24cm3
    Surface Tension: 67.2±5.0 dyne/cm
    Molar Volume: 566.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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