ChemSpider 2D Image | LZ5857000 | C53H90O22

LZ5857000

  • Molecular FormulaC53H90O22
  • Average mass1079.269 Da
  • Monoisotopic mass1078.592407 Da
  • ChemSpider ID23327428

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3β,12β)-12-Hydroxy-20-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-12-Hydroxy-20-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}dammar-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β)-12-hydroxy-20-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}dammar-24-én-3-yle [French] [ACD/IUPAC Name]
68406-26-8 [RN]
Ginsenoside Rb3
LZ5857000
MFCD10566396
β-D-Glucopyranoside, (3β,12β)-12-hydroxy-20-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(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,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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  • 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>-glucopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta </stereo>-<stereo>D</stereo>-glucopyranoside and <stereo>beta</stereo>-<stereo>D</stereo>-xylopyranosyl-(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:77153
      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-glucopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77153
      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-glucopyranosyl-(1right2)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(1right6)-beta-D-glucopyranoside respectively, ; and in which a double bond has been intro duced at the 24-25 position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77153

    • Bio Activity:

      Ginsenoside Rb3 is a natural triterpenoid saponin; has various pharmacological effects. MedChem Express

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

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