ChemSpider 2D Image | Buddlejasaponin Ivb | C48H78O18

Buddlejasaponin Ivb

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID34997863

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
152580-79-5 [RN]
Buddlejasaponin Ivb
β-D-Galactopyranoside, (3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-β-D-glucopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->3)-6-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-6-désoxy-β-D-galactopyranoside de (3β,16β)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
916347-31-4 [RN]
BUDDLEJASAPONIN-IV-B
Clinodiside A
clinodisidea
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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: 1054.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 174.7±6.0 kJ/mol
    Flash Point: 591.3±34.3 °C
    Index of Refraction: 1.634
    Molar Refractivity: 235.8±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 12
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 162.02
    ACD/KOC (pH 5.5): 1327.23
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 162.02
    ACD/KOC (pH 7.4): 1327.22
    Polar Surface Area: 298 Å2
    Polarizability: 93.5±0.5 10-24cm3
    Surface Tension: 76.6±5.0 dyne/cm
    Molar Volume: 659.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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