ChemSpider 2D Image | Ajugasalicioside F | C35H58O12

Ajugasalicioside F

  • Molecular FormulaC35H58O12
  • Average mass670.828 Da
  • Monoisotopic mass670.392822 Da
  • ChemSpider ID9258063

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5α,16β,22S,23S,24S,25S)-16,17,21,23,26-Pentahydroxy-22,25-epoxystigmast-7-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,16β,22S,23S,24S,25S)-16,17,21,23,26-Pentahydroxy-22,25-epoxystigmast-7-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ajugasalicioside F
β-D-Glucopyranoside de (3β,5α,16β,22S,23S,24S,25S)-16,17,21,23,26-pentahydroxy-22,25-époxystigmast-7-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,16β,22S,23S,24S,25S)-22,25-epoxy-16,17,21,23,26-pentahydroxystigmast-7-en-3-yl [ACD/Index Name]
(3S,16S,17S,20R,22S,23S,24S,25S)-22,25-epoxy-3-(β-D-glucopyranosyloxy)stigmast-7-en-16,17,21,23,27-pentol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 839.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 461.2±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.60
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.60
Polar Surface Area: 210 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 483.2±5.0 cm3

Click to predict properties on the Chemicalize site


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