ChemSpider 2D Image | Pulchinenoside B4 | C59H96O26

Pulchinenoside B4

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID9811455

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

129741-57-7 [RN]
6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-gluc opyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-gl ucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-én-28-yl]-β-D-gl ucopyranose [French] [ACD/IUPAC Name]
Pulchinenoside B4
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-28-oxolup-20 (29)-en-28-yl]- [ACD/Index Name]
[135247-95-9] [RN]
135247-95-9 [RN]
23-hydroxy-3β-[(O-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid 28-O-α-L-rhamnopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl ester
6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.634
    Molar Refractivity: 294.3±0.4 cm3
    #H bond acceptors: 26
    #H bond donors: 15
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.73
    ACD/KOC (pH 5.5): 202.71
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.73
    ACD/KOC (pH 7.4): 202.71
    Polar Surface Area: 413 Å2
    Polarizability: 116.7±0.5 10-24cm3
    Surface Tension: 81.0±5.0 dyne/cm
    Molar Volume: 823.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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