ChemSpider 2D Image | LICORICESAPONIN E2 | C42H60O16

LICORICESAPONIN E2

  • Molecular FormulaC42H60O16
  • Average mass820.916 Da
  • Monoisotopic mass820.388123 Da
  • ChemSpider ID34989437

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,22β)-11,29-Dioxo-22,29-epoxyolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,22β)-11,29-Dioxo-22,29-epoxyolean-12-en-3-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
119417-96-8 [RN]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de (3β,22β)-11,29-dioxo-22,29-époxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
LICORICESAPONIN E2
Olean-12-ene-11,29-dione, 22,29-epoxy-3-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-, (3β,22β)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-6-carboxy-2-[[(1R,2R,5S,6R,9R,11S,14S,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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

BP0AR0WUZQ [DBID]
UNII:BP0AR0WUZQ [DBID]
UNII-BP0AR0WUZQ [DBID]

    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: 1.627
    Molar Refractivity: 199.5±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): -2.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 256 Å2
    Polarizability: 79.1±0.5 10-24cm3
    Surface Tension: 73.6±5.0 dyne/cm
    Molar Volume: 563.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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