ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2alpha,3beta,16alpha)-3-(beta-D-glucopyranosyloxy)-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-alpha-L-arabinopyran ose | C52H80O24

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2α,3β,16α)-3-(β-D-glucopyranosyloxy)-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyran ose

  • Molecular FormulaC52H80O24
  • Average mass1089.177 Da
  • Monoisotopic mass1088.503906 Da
  • ChemSpider ID57620811

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

α-L-Arabinopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2α,3β,16α)-2,23-epoxy-3-(β-D-glucopyranosyloxy)-16,24-dihydroxy-23,28-dioxoolean-12-e ;n-28-yl]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2α,3β,16α)-3-(β-D-glucopyranosyloxy)-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyran ;ose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2α,3β,16α)-3-(β-D-glucopyranosyloxy)-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyra ;nose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2α,3β,16α)-3-(β-D-glucopyranosyloxy)-16,23-dihydroxy-24,28-dioxo-2,24-époxyoléan-12-én-28-yl]-α-L-arabinopyra ;nose [French] [ACD/IUPAC Name]
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (1S,2R,5R,6S,8R,9R,14S,18R,19R,21S,24R)-8-hydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-23-oxo-24-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-15-ene-9-carboxylate
3-O-β-D-glucopyranosyl 3β,16α,23-trihydroxyolean-12-en-2,24-lactone-28-oic acid 28-O-β-xylopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl ester
917482-69-0 [RN]
platycoside m3

    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: 1.653
    Molar Refractivity: 257.5±0.4 cm3
    #H bond acceptors: 24
    #H bond donors: 13
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: -0.05
    ACD/LogD (pH 5.5): -0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.94
    ACD/LogD (pH 7.4): -0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.94
    Polar Surface Area: 380 Å2
    Polarizability: 102.1±0.5 10-24cm3
    Surface Tension: 86.8±5.0 dyne/cm
    Molar Volume: 703.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement