ChemSpider 2D Image | (3beta)-22-[4-(beta-D-Glucopyranosyloxy)-3-methylbutyl]-16,24-cyclochola-5,16,20(22),23-tetraen-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-beta-D-glucopyranoside | C47H72O16

(3β)-22-[4-(β-D-Glucopyranosyloxy)-3-methylbutyl]-16,24-cyclochola-5,16,20(22),23-tetraen-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC47H72O16
  • Average mass893.065 Da
  • Monoisotopic mass892.482056 Da
  • ChemSpider ID28287061
  • defined stereocentres - 20 of 22 defined stereocentres


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(3β)-22-[4-(β-D-Glucopyranosyloxy)-3-methylbutyl]-16,24-cyclochola-5,16,20(22),23-tetraen-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-22-[4-(β-D-Glucopyranosyloxy)-3-methylbutyl]-16,24-cyclochola-5,16,20(22),23-tetraen-3-yl-2-O-(6-desoxy-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-L-mannopyranosyl)-β-D-glucopyranoside de (3β)-22-[4-(β-D-glucopyranosyloxy)-3-méthylbutyl]-16,24-cyclochola-5,16,20(22),23-tétraén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-22-[4-(β-D-glucopyranosyloxy)-3-methylbutyl]-16,24-cyclochola-5,16,20(22),23-tetraen-3-yl 2-O-(6-deoxy-L-mannopyranosyl)- [ACD/Index Name]
parispseudoside B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1007.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.1±3.0 kJ/mol
Flash Point: 563.2±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 227.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1260.93
ACD/KOC (pH 5.5): 5764.95
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1260.92
ACD/KOC (pH 7.4): 5764.93
Polar Surface Area: 258 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 634.2±5.0 cm3

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