ChemSpider 2D Image | Gypenoside LXXV | C42H72O13

Gypenoside LXXV

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID30786180

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,12β)-3,12-Dihydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-3,12-Dihydroxydammar-24-en-20-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β)-3,12-dihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
Gypenoside LXXV
β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-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]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
110261-98-8 [RN]
gypenoside LXXVypenoside LXXV
  • 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</st ereo> positions, in which the hydroxy group at position 20 has been converted to the corresponding <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>6)-<stereo>beta</stereo >-<stereo>D</stereo>-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77156
      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 group at position 20 has been converted to the corresponding beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77156
      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 group at position 20 has been converted to the corresponding beta-D-glucopyranosyl-(1right6)-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:77156

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

Density: 1.3±0.1 g/cm3
Boiling Point: 879.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.8±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: 5.38
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 327.37
ACD/KOC (pH 5.5): 2195.78
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 327.36
ACD/KOC (pH 7.4): 2195.77
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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