ChemSpider 2D Image | Pseudoginsenoside-F11 | C42H72O14

Pseudoginsenoside-F11

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID29272134

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,6α,12β,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-mannopyranoside [ACD/IUPAC Name]
(3β,6α,12β,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-mannopyranoside de (3β,6α,12β,24R)-3,12,25-trihydroxy-20,24-époxydammaran-6-yle [French] [ACD/IUPAC Name]
69884-00-0 [RN]
Pseudoginsenoside-F11
β-D-Mannopyranoside, (3β,6α,12β,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
(3β,6α,12β,24R)-3,12,25-trihydroxy-20,24-epoxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-btea-D-glucopyranoside
[69884-00-0] [RN]
Aglycone F11
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 885.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 146.2±6.0 kJ/mol
    Flash Point: 489.2±34.3 °C
    Index of Refraction: 1.599
    Molar Refractivity: 204.4±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 4
    ACD/LogP: 5.27
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 320.08
    ACD/KOC (pH 5.5): 2160.71
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 320.08
    ACD/KOC (pH 7.4): 2160.70
    Polar Surface Area: 228 Å2
    Polarizability: 81.0±0.5 10-24cm3
    Surface Tension: 65.6±5.0 dyne/cm
    Molar Volume: 598.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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