ChemSpider 2D Image | (1S,4R,9beta,11alpha,24R)-1-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl beta-D-glucop yranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside | C66H112O34

(1S,4R,9β,11α,24R)-1-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucop yranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside

  • Molecular FormulaC66H112O34
  • Average mass1449.575 Da
  • Monoisotopic mass1448.703491 Da
  • ChemSpider ID115011174

  • defined stereocentres - 40 of 40 defined stereocentres

More details:

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

(1S,4R,9β,11α,24R)-1-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucop
 yranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-1-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-β-D-glucop
 yranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,4R)-4-[(3β,9β,10α,11α,17β)-3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->;6)-β-D-glucopyranosyl]oxy]-11-hydroxy-4,4,9,14-tetramethylestr -5-en-17-yl]-1-(1-hydroxy-1-methylethyl)pentyl O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside de (1S,4R,9β,11α,24R)-1-{[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}
 -11,25-dihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC Name]
Mogroside VI A

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 340.8±0.4 cm3
#H bond acceptors: 34
#H bond donors: 22
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 556 Å2
Polarizability: 135.1±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 930.7±5.0 cm3

Click to predict properties on the Chemicalize site


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