ChemSpider 2D Image | (3beta,5beta)-3-{[(4xi)-6-Deoxy-4-O-(D-glucopyranosyl)-alpha-L-lyxo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide | C35H52O15

(3β,5β)-3-{[(4ξ)-6-Deoxy-4-O-(D-glucopyranosyl)-α-L-lyxo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID17467173

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[(4ξ)-6-Deoxy-4-O-(D-glucopyranosyl)-α-L-lyxo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[(4ξ)-6-Desoxy-4-O-(D-glucopyranosyl)-α-L-lyxo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[(4ξ)-6-Désoxy-4-O-(D-glucopyranosyl)-α-L-lyxo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[(4ξ)-6-deoxy-4-O-D-glucopyranosyl-α-L-lyxo-hexopyranosyl]oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 927.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 153.1±6.0 kJ/mol
    Flash Point: 288.6±27.8 °C
    Index of Refraction: 1.642
    Molar Refractivity: 170.7±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 8
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -1.95
    ACD/LogD (pH 5.5): -1.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.33
    ACD/LogD (pH 7.4): -1.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.33
    Polar Surface Area: 242 Å2
    Polarizability: 67.7±0.5 10-24cm3
    Surface Tension: 81.2±5.0 dyne/cm
    Molar Volume: 472.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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