ChemSpider 2D Image | bacoside A3 | C47H76O18

bacoside A3

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID32818704

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside
(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
157408-08-7 [RN]
bacoside A3
Jujubogenin 3-O-[α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->;3)]-β-D-glucopyranoside]
MFCD07779137
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-β-D-glucopyranoside de (3β,16β,23R)-20-hydroxy-16,23:16,30-diépoxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1S862DJ73F [DBID]
UNII:1S862DJ73F [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.626
    Molar Refractivity: 229.9±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 10
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 4.62
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 199.66
    ACD/KOC (pH 5.5): 1541.28
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 199.66
    ACD/KOC (pH 7.4): 1541.27
    Polar Surface Area: 276 Å2
    Polarizability: 91.1±0.5 10-24cm3
    Surface Tension: 73.5±5.0 dyne/cm
    Molar Volume: 649.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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