ChemSpider 2D Image | Ginsenoside Rg1 | C42H72O14

Ginsenoside Rg1

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID390498
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(2R,3R,4S,5S,6R)-2-({(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-5-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2R,3R,4S,5S,6R)-2-({(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentaméthyl-17-[(2S)-6-méthyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-5-heptèn-2-yl]hexadécahydro-1H-cyclopenta[a]phénanthrén-6-yl}oxy)-6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-β-D-glucopyranoside
Ginsenoside Rg1
β-D-Glucopyranoside de (3β,6α,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,8S,10R,11R,14S,15R,16R)-5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3β,6α,12β)-3,12-dihydroxydammar-24-ene-6,20-diyl bis-β-D-glucopyranoside
More...

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

C08946 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 898.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 497.2±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.10
ACD/KOC (pH 5.5): 182.01
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 182.01
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 600.4±5.0 cm3

Click to predict properties on the Chemicalize site


Feedback Form