ChemSpider 2D Image | Arganin C | C58H94O28

Arganin C

  • Molecular FormulaC58H94O28
  • Average mass1239.350 Da
  • Monoisotopic mass1238.593140 Da
  • ChemSpider ID10235843

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean 
-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoole 
an-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tétrahydroxy-28-oxoolé 
an-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
Arganin C
α-L-Arabinopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6 ,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
6-deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose
Arganine C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505976/
α-L-arabinopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-

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: 1.654
Molar Refractivity: 292.9±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.61
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.61
Polar Surface Area: 453 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 799.6±5.0 cm3

Click to predict properties on the Chemicalize site


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