ChemSpider 2D Image | 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-gulopyranose | C44H70O23

1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-gulopyranose

  • Molecular FormulaC44H70O23
  • Average mass967.013 Da
  • Monoisotopic mass966.430786 Da
  • ChemSpider ID26944081
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-gulopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-gulopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-gulopyranose [French] [ACD/IUPAC Name]
(4α)-13-[(2-O-β-D-glucopyranosyl-3-O-β-D?glucopyranosyl-β-D-glucopyranosyl)-oxy]kaur-6-en-8-oic acid β-D?glucopyrano
MFCD02183463 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1118.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.0±6.0 kJ/mol
Flash Point: 324.7±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 224.1±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.40
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.40
Polar Surface Area: 374 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 607.8±5.0 cm3

Click to predict properties on the Chemicalize site






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