ChemSpider 2D Image | Saikosaponin B2 | C42H68O13

Saikosaponin B2

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID10272950

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-desoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
58316-41-9 [RN]
6-Désoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside de (3β,16α)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
Saikosaponin B2
β-D-Galactopyranoside, (3β,16α)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(3β,4α,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside
[58316-41-9] [RN]
MFCD00210366 [MDL number]
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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: 909.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 150.2±6.0 kJ/mol
    Flash Point: 504.1±34.3 °C
    Index of Refraction: 1.619
    Molar Refractivity: 202.1±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.80
    ACD/BCF (pH 5.5): 453.79
    ACD/KOC (pH 5.5): 2773.96
    ACD/LogD (pH 7.4): 3.80
    ACD/BCF (pH 7.4): 453.79
    ACD/KOC (pH 7.4): 2773.95
    Polar Surface Area: 219 Å2
    Polarizability: 80.1±0.5 10-24cm3
    Surface Tension: 68.5±5.0 dyne/cm
    Molar Volume: 576.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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