ChemSpider 2D Image | (3beta,13alpha)-7-Oxopimara-8(14),15-dien-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside | C38H60O17

(3β,13α)-7-Oxopimara-8(14),15-dien-3-yl β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside

  • Molecular FormulaC38H60O17
  • Average mass788.873 Da
  • Monoisotopic mass788.383057 Da
  • ChemSpider ID10018589

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,13α)-7-Oxopimara-8(14),15-dien-3-yl β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,13α)-7-Oxopimara-8(14),15-dien-3-yl-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9(1H)-Phenanthrenone, 7-ethenyl-2-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl]oxy]-2,3,4,4a,4b,5,6,7,10,10a-decahydro-1,1,4a,7-tetramethyl-, (2S,4aS,4bR,7R,10 aR)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de (3β,13α)-7-oxopimara-8(14),15-dién-3-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501265/
LEUCASPEROSIDE A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 960.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.6±6.0 kJ/mol
Flash Point: 289.2±27.8 °C
Index of Refraction: 1.624
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 73.36
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 73.36
Polar Surface Area: 275 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 539.9±5.0 cm3

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