ChemSpider 2D Image | Astragaloside I | C43H68O16

Astragaloside I

  • Molecular FormulaC43H68O16
  • Average mass840.990 Da
  • Monoisotopic mass840.450745 Da
  • ChemSpider ID24534124

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,6α,16β,20R,24S)-3-[(2,3-Di-O-acetyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-14-methyl-20,24-epoxy-9,19-cyclocholestan-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,16β,20R,24S)-3-[(2,3-Di-O-acetyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-14-methyl-20,24-epoxy-9,19-cyclocholestan-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
84680-75-1 [RN]
Astragaloside I
β-D-Glucopyranoside de (3β,6α,16β,20R,24S)-3-[(2,3-di-O-acétyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-14-méthyl-20,24-époxy-9,19-cyclocholestan-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,16β,20R,24S)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-14-methyl-9,19-cyclocholestan-6-yl [ACD/Index Name]
[(2S,3R,4S,5R)-3-Acetyloxy-5-hydroxy-2-[[(1R,3R,6S,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-12,16-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate
[84680-75-1] [RN]
Astragaloside-I
MFCD00238542

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

Density: 1.4±0.1 g/cm3
Boiling Point: 910.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.3±6.0 kJ/mol
Flash Point: 265.5±27.8 °C
Index of Refraction: 1.603
Molar Refractivity: 207.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 111.24
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 111.24
Polar Surface Area: 240 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 604.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement