ChemSpider 2D Image | bacopaside II | C47H76O18

bacopaside II

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID28536217

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(1S,2R,5S,7S,10S,11R,14R,15S,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl α-L-arabinofuranos 
yl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,5S,7S,10S,11R,14R,15S,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl-α-L-arabinofuranos 
yl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
382146-66-9 [RN]
bacopaside II
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-β-D-glucopyranoside de (1S,2R,5S,7S,10S,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentaméthyl-17-(2-méthyl-1-propén-1-yl)-19,21- dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2R,4aR,6aS,6bR,8aS,10S,12aS,12bR,14aR,14bS)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propen-1-yl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]py ran-10-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
Bacopaside-II
MFCD07779136

    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: 4.63
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 231.99
    ACD/KOC (pH 5.5): 1716.05
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 231.99
    ACD/KOC (pH 7.4): 1716.04
    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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