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Search term: gypenoside XVII (Found by approved synonym)

ChemSpider 2D Image | Gypenoside XVII | C48H82O18

Gypenoside XVII

  • Molecular FormulaC48H82O18
  • Average mass947.154 Da
  • Monoisotopic mass946.550110 Da
  • ChemSpider ID24711278
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(3β,12β)-20-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-20-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Gypenoside XVII
β-D-Glucopyranoside de (3β,12β)-20-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
[80321-69-3]
80321-69-3 [RN]
Gynosaponin S
GYPENOSIDE-(XVII)
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A ginsenoside found in <ital>Panax</ital> species that is dammarane which is substituted by hydroxy groups at the 3<stereo>beta</stereo>, 12<stereo>beta</stereo> and 20 <ital>pro</ital>-<stereo>S</ste reo> positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside and <stereo>beta</stereo>-<stereo>D< /stereo>-glucopyranosyl-(1<arrow>right</arrow>6)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77155
      A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been c onverted to the corresponding beta-D-glucopyranoside and beta-<stereo>D</stereo>-glucopyranosyl-(1right6)-beta-D-glucopyranoside respectively, 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:77155
    • Bio Activity:

      Gypenoside XVII is a natural product. MedChem Express http://www.medchemexpress.com/doxycycline-hydrochloride.html, HY-N0553

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1013.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.6±6.0 kJ/mol
Flash Point: 566.8±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 238.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.27
ACD/KOC (pH 5.5): 389.99
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.27
ACD/KOC (pH 7.4): 389.99
Polar Surface Area: 298 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 685.7±5.0 cm3

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