ChemSpider 2D Image | hederasaponin B | C59H96O25

hederasaponin B

  • Molecular FormulaC59H96O25
  • Average mass1205.379 Da
  • Monoisotopic mass1204.624023 Da
  • ChemSpider ID10252130

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

36284-77-2 [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}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [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}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [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}-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
hederasaponin B
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]-28-oxoolean-12-en-28-yl ]- [ACD/Index Name]
[36284-77-2] [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506880/
MFCD16036216

    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: 1.630
    Molar Refractivity: 293.0±0.4 cm3
    #H bond acceptors: 25
    #H bond donors: 14
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 4
    ACD/LogP: 6.11
    ACD/LogD (pH 5.5): 3.54
    ACD/BCF (pH 5.5): 286.32
    ACD/KOC (pH 5.5): 1994.99
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 286.32
    ACD/KOC (pH 7.4): 1994.97
    Polar Surface Area: 393 Å2
    Polarizability: 116.1±0.5 10-24cm3
    Surface Tension: 78.5±5.0 dyne/cm
    Molar Volume: 823.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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