ChemSpider 2D Image | Swartziatrioside | C47H76O17

Swartziatrioside

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID10248970
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-, (3β)- [ACD/Index Name]
Swartziatrioside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507823/
Oleanolic acid-3-O-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl]-(1->3)-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 993.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.2±6.0 kJ/mol
Flash Point: 284.0±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 228.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 954.66
ACD/KOC (pH 5.5): 2590.18
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 15.04
ACD/KOC (pH 7.4): 40.81
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 652.0±5.0 cm3

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