Found 1 result

Search term: ginsenoside Rb2 (Found by approved synonym)
ChemSpider 2D Image | LZ5779240 | C53H90O22

LZ5779240

  • Molecular FormulaC53H90O22
  • Average mass1079.269 Da
  • Monoisotopic mass1078.592407 Da
  • ChemSpider ID5293194

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(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-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-5-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxy)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-(hydroxyméthyl)-2-({(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentaméthyl-17-[(2S)-6-méthyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-5-heptèn-2-yl]hexadécahydro-1H-cyclopenta[a]phénanthrén-3-yl}oxy)tétrahydro-2H-pyran-3-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol
(3β,12β)-20-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
(3β,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranoside
11021-13-9 [RN]
20-((6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy)-12β-hydroxydammar-24-en-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
234-251-4 [EINECS]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β)-20-{[6-O-(α-L-arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
More...

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

N219O0L31C [DBID]
NSC 308878 [DBID]
UNII-N219O0L31C [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A ginsenoside found in <ital>Panax ginseng</ital> 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>-glucopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta </stereo>-<stereo>D</stereo>-glucopyranoside and <stereo>alpha</stereo>-<stereo>L</stereo>-arabinopyranosyl-(1<arrow>right</arrow>6)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside respective ly, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77152
      A ginsenoside found in Panax ginseng 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-glucopyranosyl-(1->2)-beta-D-glucopyranoside and alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduce d at the 24-25 position. ChEBI CHEBI:77152
      A ginsenoside found in Panax ginseng 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-glucopyranosyl-(1right2)-beta-D-glucopyranoside and alpha-L-arabinopyranosyl-(1right6)-beta-D-glucopyranoside respective; ly, and in which a double bond has been i ntroduced at the 24-25 position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77152

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1117.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 185.8±6.0 kJ/mol
Flash Point: 629.4±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 265.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.31
ACD/KOC (pH 5.5): 341.44
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.31
ACD/KOC (pH 7.4): 341.44
Polar Surface Area: 357 Å2
Polarizability: 105.3±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 754.8±5.0 cm3

Click to predict properties on the Chemicalize site


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