ChemSpider 2D Image | ginsenoside Rg5 | C42H70O12

ginsenoside Rg5

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID9724779

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,12β,20E)-12-Hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β,20E)-12-Hydroxydammara-20(22),24-dien-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
186763-78-0 [RN]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β,20E)-12-hydroxydammara-20(22),24-dién-3-yle [French] [ACD/IUPAC Name]
ginsenoside Rg5
β-D-Glucopyranoside, (3β,12β,20E)-12-hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((E)-6-methylhepta-2,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(3β,12β,20E)-12-hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
[74964-14-0] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 855.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.3±6.0 kJ/mol
Flash Point: 471.2±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2178.45
ACD/KOC (pH 5.5): 8531.83
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2178.42
ACD/KOC (pH 7.4): 8531.72
Polar Surface Area: 199 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 598.3±5.0 cm3

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