ChemSpider 2D Image | Saikosaponin I | C48H78O17

Saikosaponin I

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID10270575

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β,16β)-16,28-Dihydroxyoleana-9(11),12-dien-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β)-16,28-Dihydroxyoleana-9(11),12-dien-3-yl-6-desoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside de (3β,16β)-16,28-dihydroxyoléana-9(11),12-dién-3-yle [French] [ACD/IUPAC Name]
Saikosaponin I
β-D-Glucopyranoside, (3β,16β)-16,28-dihydroxyoleana-9(11),12-dien-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]
103629-71-6 [RN]
MFCD30725474

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1006.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 166.4±6.0 kJ/mol
    Flash Point: 562.3±34.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 234.3±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 11
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.90
    ACD/KOC (pH 5.5): 1384.62
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.89
    ACD/KOC (pH 7.4): 1384.62
    Polar Surface Area: 278 Å2
    Polarizability: 92.9±0.5 10-24cm3
    Surface Tension: 72.6±5.0 dyne/cm
    Molar Volume: 662.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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