ChemSpider 2D Image | Bacopasaponin C | C46H74O17

Bacopasaponin C

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID34996529

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(1S,2R,5R,7S,10R,11R,14R,15R,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)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(1S,2R,5R,7S,10R,11R,14R,15R,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)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
178064-13-6 [RN]
Bacopasaponin C
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-α-L-arabinopyranoside de (1S,2R,5R,7S,10R,11R,14R,15R,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]
α-L-Arabinopyranoside, (1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bR)-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 ]pyran-10-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
(-)-bacopasaponin c
MFCD09265218

    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: 1.621
    Molar Refractivity: 223.7±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 9
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 256.82
    ACD/KOC (pH 5.5): 1845.60
    ACD/LogD (pH 7.4): 3.47
    ACD/BCF (pH 7.4): 256.82
    ACD/KOC (pH 7.4): 1845.60
    Polar Surface Area: 256 Å2
    Polarizability: 88.7±0.5 10-24cm3
    Surface Tension: 71.1±5.0 dyne/cm
    Molar Volume: 635.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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