ChemSpider 2D Image | LZ6430000 | C42H72O13

LZ6430000

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID10229016

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-({(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S)-2-hydroxy-6-methyl-5-hepten-2-yl]-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-({(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S)-2-hydroxy-6-méthyl-5-heptèn-2-yl]-4,4,8,10,14-pentaméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-6-yl}oxy)-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-6-méthyltétrahydro-2H-pyran-3,4,5-triol
(3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
(3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,6α,12β)-3,12,20-trihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
52286-74-5 [RN]
Chikusetsusaponin I
Ginsenoside Rg2
LZ6430000
More...

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

5R89LAS235 [DBID]
6627213 [DBID]
BRN 0127752 [DBID]
  • 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>, 6<stereo>alpha</stereo>, 12<stereo>beta</stereo> and 20 <ital> pro</ital>-<stereo>S</stereo> positions, in which the hydroxy group at position 6 has been converted to the corresponding <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl-(1<arrow>right</arro w>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77151
      A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 ; pro-S positions, in which the hydroxy group at position 6 has been c onverted to the corresponding alpha-L-rhamnopyranosyl-(1right2)-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:77151
      A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been con verted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ChEBI CHEBI:77151

    • Bio Activity:

      Ginsenoside Rg2, a steroid glycosides, is abundant in Panax ginseng root, which has been used for prevention of illness. MedChem Express
      Ginsenoside Rg2, a steroid glycosides, is abundant in Panax ginseng root, which has been used for prevention of illness.; IC50 value:; Target:; In vitro: Ginsenoside Rg2 prevented LPS-mediated increas e of VCAM-1 and ICAM-1 expression. MedChem Express HY-N0602
      Others MedChem Express HY-N0602

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

Density: 1.3±0.1 g/cm3
Boiling Point: 881.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.5±6.0 kJ/mol
Flash Point: 486.6±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3190.06
ACD/KOC (pH 5.5): 11203.04
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3190.04
ACD/KOC (pH 7.4): 11203.00
Polar Surface Area: 219 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 603.3±5.0 cm3

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