ChemSpider 2D Image | Quadranoside IV | C36H58O10

Quadranoside IV

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID8547519

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

1-O-[(2α,3β)-2,3,23-Trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,23-Trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,23-Trihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside
Quadranoside IV
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
1-O-[2α,3β,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of asiatic acid with <stereo>beta</stereo>,23<stereo>alpha</stereo>-trihydroxyurs-12-en-28- oic acid 28-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose. It has been isolated from <ital>Juglans sinensis</ital>. ChEBI CHEBI:67952
      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of asiatic acid with beta,23alpha-trihydroxyurs-12-en-28-; oic acid 28-O-beta-D-glucopyrano se. It has been isolated from Juglans sinensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67952
      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of asiatic acid with beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranose . It has been isolated from Juglans sinensis. ChEBI CHEBI:67952

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

Density: 1.3±0.1 g/cm3
Boiling Point: 747.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 225.8±26.4 °C
Index of Refraction: 1.604
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2131.30
ACD/KOC (pH 5.5): 8399.26
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2131.28
ACD/KOC (pH 7.4): 8399.15
Polar Surface Area: 177 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 494.8±5.0 cm3

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