ChemSpider 2D Image | Pulsatilla saponin D | C47H76O17

Pulsatilla saponin D

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID9825649

  • defined stereocentres - 23 of 23 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->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
68027-15-6 [RN]
Acide (3β)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-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->4)]-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
Pulsatilla saponin D
(4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-(((2S,3R,4S,5S)-4-Hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6A,6B,9,12A-hexamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-icosahydropicene-4A-carboxylic acid
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
[68027-15-6] [RN]
Hederacolchiside A
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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: 997.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 164.9±6.0 kJ/mol
    Flash Point: 285.4±27.8 °C
    Index of Refraction: 1.619
    Molar Refractivity: 228.6±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 10
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 4
    ACD/LogP: 5.77
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 164.81
    ACD/KOC (pH 5.5): 733.61
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 2.60
    ACD/KOC (pH 7.4): 11.55
    Polar Surface Area: 275 Å2
    Polarizability: 90.6±0.5 10-24cm3
    Surface Tension: 72.0±5.0 dyne/cm
    Molar Volume: 652.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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