Found 1 result

Search term: ginsenoside Re (Found by approved synonym)
ChemSpider 2D Image | Ginsenoside B2 | C48H82O18

Ginsenoside B2

  • Molecular FormulaC48H82O18
  • Average mass947.154 Da
  • Monoisotopic mass946.550110 Da
  • ChemSpider ID390496

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-({(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-hepten-2-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-({(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}-3,12-dihydroxy-4,4,8,10,14-pentaméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-6-méthyl-5-heptèn-2-yl}oxy)-6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,6α,12β)-6-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β)-6-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,6α,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
51542-56-4 [RN]
52286-59-6 [RN]
More...

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

46F3R0BL3I [DBID]
AIDS-058058 [DBID]
C08944 [DBID]
NSC 308877 [DBID]
NSC-308877 [DBID]
UNII:46F3R0BL3I [DBID]
UNII-46F3R0BL3I [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>, 6<stereo>alpha</stereo>, 12<stereo>beta</stereo> and 20 <ital> pro</ital>-<stereo>S</stereo> positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl-(1<arrow>r ight</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside and <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77148
      A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 ; pro-S positions, in which the hydroxy groups at positions 6 and 20 h ave been converted to the corresponding alpha-L-rhamnopyranosyl-(1r; ight2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the; 24-2 5 position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77148
      A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 hav e been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 positio n. ChEBI CHEBI:77148

    • Bio Activity:

      Ginsenoside Re is a panaxatriol saponin that has diverse in vitro and in vivo effects, including vasorelaxant, antioxidant, antihyperlipidemic, and angiogenic actions. MedChem Express http://www.medchemexpress.com/Notoginsenoside-Fe.html, HY-N0044
      Others MedChem Express HY-N0044

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1011.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.3±6.0 kJ/mol
Flash Point: 565.7±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: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.45
ACD/KOC (pH 5.5): 663.08
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.45
ACD/KOC (pH 7.4): 663.08
Polar Surface Area: 298 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 686.3±5.0 cm3

Click to predict properties on the Chemicalize site


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