ChemSpider 2D Image | Ternstroemiaside E | C62H100O29

Ternstroemiaside E

  • Molecular FormulaC62H100O29
  • Average mass1309.440 Da
  • Monoisotopic mass1308.635010 Da
  • ChemSpider ID9609688

  • defined stereocentres - 34 of 34 defined stereocentres

More details:

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

(3β,16α)-16-Acetoxy-28-(β-D-glucopyranosyloxy)olean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronic ; acid [ACD/IUPAC Name]
(3β,16α)-16-Acetoxy-28-(β-D-glucopyranosyloxy)olean-12-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosidurons ; äure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronique de (3β,16α)-16-acétoxy-28-(β-D-glucopyranosyloxy)oléa ; n-12-én-3-yle [French] [ACD/IUPAC Name]
Ternstroemiaside E
β-D-Glucopyranosiduronic acid, (3β,16α)-16-(acetyloxy)-28-(β-D-glucopyranosyloxy)olean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->;2)-O-β-D-galactopyranosyl-(1->3)-O-[β-D-glucop 
yranosyl-(1->2)]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 311.7±0.4 cm3
#H bond acceptors: 29
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 459 Å2
Polarizability: 123.6±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 868.5±5.0 cm3

Click to predict properties on the Chemicalize site


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