Found 9 results

Search term: VQQGPFFHGWNIGX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Raddeanin A | C47H76O16

Raddeanin A

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID152391

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
89412-79-3 [RN]
Acide (3β)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->;2)-α-L-arabinopyranosyl]oxy]-, (3β)- [ACD/Index Name]
Raddeanin A
Raddeanin(Anemodeanin) A
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
[89412-79-3] [RN]
3-{[6-Deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->2)pentopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 382873 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 967.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 159.7±6.0 kJ/mol
    Flash Point: 276.2±27.8 °C
    Index of Refraction: 1.610
    Molar Refractivity: 227.1±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 9
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 4
    ACD/LogP: 10.11
    ACD/LogD (pH 5.5): 5.86
    ACD/BCF (pH 5.5): 10123.81
    ACD/KOC (pH 5.5): 14040.06
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 159.49
    ACD/KOC (pH 7.4): 221.19
    Polar Surface Area: 255 Å2
    Polarizability: 90.0±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 654.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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