ChemSpider 2D Image | Rg3 | C42H72O13

Rg3

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID8094338

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,12β)-12,20-Dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-12,20-Dihydroxydammar-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
14197-60-5 [RN]
20(S)-Ginsenoside-Rg3
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β)-12,20-dihydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
ginsenoside Rg3
LY9537300
MFCD06410950 [MDL number]
Rg3
β-D-Glucopyranoside, (3β,12β)-12,20-dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
More...

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

227D367Y57 [DBID]
UNII:227D367Y57 [DBID]
UNII-227D367Y57 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A ginsenoside found in <ital>Panax ginseng</ital> and <ital>Panax japonicus</ital> var. <ital>major</ital> that is dammarane which is substituted by hydroxy groups at the 3<stereo>beta</stereo>, 12<st ereo>beta</stereo> and 20 <ital>pro</ital>-<stereo>S</stereo> positions, in which the hydroxy group at position 3 has been converted to the corresponding <stereo>beta</stereo>-<stereo>D</stereo>-gluco pyranosyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:67991
      A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67991, CHEBI:67991

    • Compound Source:

      ginsenoside degradation III PlantCyc CPD-12102
      Linum usitatissimum PlantCyc CPD-12102

    • Bio Activity:

      (20S)-ginsenoside Rg3 + H2O -> (20S)-ginsenoside Rh2 + D-glucopyranose PlantCyc CPD-12102
      Ginsenoside Rg3 is a steroid glycoside derivative which affects endothelium relaxation in the aorta. MedChem Express
      Ginsenoside Rg3 is a steroid glycoside derivative which affects endothelium relaxation in the aorta.; Target: Others; ginsenoside Rg3 is one of the main active components responsible for ginseng actio ns. MedChem Express HY-N0603
      Ginsenoside Rg3 is a steroid glycoside derivative which affects endothelium relaxation in the aorta.;Target: ginsenoside Rg3 is one of the main active components responsible for ginseng actions. Ginsenoside Rg3 was the most potent fraction of ginseng saponins and a more marked inhibitor of IBa2+ than is ginsenoside Rf. ginsenoside Rg3 as a new active component is well consistent with results of the previous study which examined the effects of ginsenosides on neuroprotection in cultured cortical cells (Kim et al., 1998). They found ginsenoside Rg3 to be one of the major active components for inhibiting glutamate-induced neuronal cell death and Ca2+ influx through glutamate receptors [1]. MedChem Express HY-N0603
      Others MedChem Express HY-N0603

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

Density: 1.3±0.1 g/cm3
Boiling Point: 885.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 489.0±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 533.66
ACD/KOC (pH 5.5): 3115.32
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 533.66
ACD/KOC (pH 7.4): 3115.31
Polar Surface Area: 219 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 602.7±5.0 cm3

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