ChemSpider 2D Image | Timosaponin A-III | C39H64O13

Timosaponin A-III

  • Molecular FormulaC39H64O13
  • Average mass740.918 Da
  • Monoisotopic mass740.434692 Da
  • ChemSpider ID24534052

  • defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(3β,5β)-Spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β)-Spirostan-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,5β)-spirostan-3-yle [French] [ACD/IUPAC Name]
41059-79-4 [RN]
Timosaponin A-III
β-D-Galactopyranoside, (3β,5β)-spirostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(3B,5B,25S)-SPIROSTAN-3-YL 2-O-β-D-GLUCOPYRANOSYL-β-D-GALACTOPYRANOSIDE
[41059-79-4] [RN]
168960-78-9 [RN]
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 862.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 142.5±6.0 kJ/mol
    Flash Point: 475.6±34.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 187.1±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 3.94
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 152.01
    ACD/KOC (pH 5.5): 1268.79
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 152.01
    ACD/KOC (pH 7.4): 1268.77
    Polar Surface Area: 197 Å2
    Polarizability: 74.2±0.5 10-24cm3
    Surface Tension: 66.3±5.0 dyne/cm
    Molar Volume: 542.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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