ChemSpider 2D Image | Astragaloside III | C41H68O14

Astragaloside III

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID26324563

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,6α,9β,16β,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6α,9β,16β,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-β-D-glucopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-xylopyranoside de (3β,6α,9β,16β,24S)-6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
84687-42-3 [RN]
Astragaloside III
β-D-Xylopyranoside, (3β,6α,9β,16β,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(3β,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-β-D-glucopyranosyl-β-D-xylopyra
[84687-42-3] [RN]
ASTRAGALOSIDE (III)
Astragaloside-III
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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: 906.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 149.7±6.0 kJ/mol
    Flash Point: 502.2±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 197.8±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 3.41
    ACD/KOC (pH 5.5): 83.74
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 3.41
    ACD/KOC (pH 7.4): 83.74
    Polar Surface Area: 228 Å2
    Polarizability: 78.4±0.5 10-24cm3
    Surface Tension: 71.0±5.0 dyne/cm
    Molar Volume: 562.6±5.0 cm3

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