ChemSpider 2D Image | clethroidoside G | C47H76O18

clethroidoside G

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID30786455

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-12,28-dioxooleanan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,16α)-16-Hydroxy-12,28-dioxooleanan-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
1335200-70-8 [RN]
clethroidoside G
Oleanan-28-al, 3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]-16-hydroxy-12-oxo-, (3β,16α)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranoside de (3β,16α)-16-hydroxy-12,28-dioxooléanan-3-yle [French] [ACD/IUPAC Name]
3-O-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl-3β,16α-dihydroxy-12-oxoolean-28-al
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is (3<stereo>beta</stereo>,16<stereo>alpha</stereo>)-3,16-dihydroxy-12-oxooleanan-28-al attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right </arrow>2)-[<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>4)]-<stereo>alpha</stereo>-<stereo>L</stereo>-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of <ital>Lysimachia clethroides</ital>. ChEBI CHEBI:69607
      A triterpenoid saponin that is (3beta,16alpha)-3,16-dihydroxy-12-oxooleanan-28-al attached to a beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides. ChEBI CHEBI:69607
      A triterpenoid saponin that is (3beta,16alpha)-3,16-dihydroxy-12-oxooleanan-28-al attached to a beta-D-glucopyranosyl-(1right; 2)-[beta-D-glucopyranosyl-(1right4)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage.; It has been isolated from the aerial parts of Lysimachia clethroides. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69607

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1009.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.9±6.0 kJ/mol
Flash Point: 288.3±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 229.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 58.72
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.08
ACD/KOC (pH 7.4): 58.72
Polar Surface Area: 292 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 656.8±5.0 cm3

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