ChemSpider 2D Image | alpha-L-Arabinofuranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-21-{[(2E,6R)-6-({6-deoxy-4-O-[(2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadi enoyl]-beta-D-glucopyranosyl}oxy)-2-(hydroxymethyl)-6-methyl-2,7-octadienoyl]oxy}-16-hydroxy-28-oxo-3-{[beta-D-xylopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-gl ucopyranosyl]oxy}olean-12-en-28-yl]-beta-D-g | C98H155NO45

α-L-Arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-{[(2E,6R)-6-({6-deoxy-4-O-[(2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadi enoyl]-β-D-glucopyranosyl}oxy)-2-(hydroxymethyl)-6-methyl-2,7-octadienoyl]oxy}-16-hydroxy-28-oxo-3-{[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->6)-2-acetamido-2-deoxy-β-D-gl ucopyranosyl]oxy}olean-12-en-28-yl]-β-D-g

  • Molecular FormulaC98H155NO45
  • Average mass2067.259 Da
  • Monoisotopic mass2065.987061 Da
  • ChemSpider ID23339552

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 50 of 50 defined stereocentres

More details:

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

α-L-Arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->;3)]-6-deoxy-α-L-mannopyranosyl-(1->;2)-1-O-[(3β,16α,21β)-21-{[(2E,6R)-6-({6-deoxy-4-O-[(2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadi
 enoyl]-β-D-glucopyranosyl}oxy)-2-(hydroxymethyl)-6-methyl-2,7-octadienoyl]oxy}-16-hydroxy-28-oxo-3-{[β-D-xylopyranosyl-(1->;2)-6-deoxy-β-D-galactopyranosyl-(1->6)-2-acetamido-2-deoxy-β-D-gl 
ucopyranosyl]oxy}olean-12-en-28-yl]-β-D-g [ACD/IUPAC Name]
α-L-Arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->;3)]-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-{[(2E,6R)-6-({6-desoxy-4-O-[(2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octa
 dienoyl]-β-D-glucopyranosyl}oxy)-2-(hydroxymethyl)-6-methyl-2,7-octadienoyl]oxy}-16-hydroxy-28-oxo-3-{[β-D-xylopyranosyl-(1->2)-6-desoxy-β-D-galactopyranosyl-(1->6)-2-acetamido-2-desoxy-β- 
D-glucopyranosyl]oxy}olean-12-en-28-yl]-β [German] [ACD/IUPAC Name]
α-L-Arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->;3)]-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-{[(2E,6R)-6-({6-désoxy-4-O-[(2E,6R)-6-hydroxy-2,6-diméthyl-2,7-octa
 dienoyl]-β-D-glucopyranosyl}oxy)-2-(hydroxyméthyl)-6-méthyl-2,7-octadienoyl]oxy}-16-hydroxy-28-oxo-3-{[β-D-xylopyranosyl-(1->2)-6-désoxy-β-D-galactopyranosyl-(1->6)-2-acétamido-2-désoxy-β- 
D-glucopyranosyl]oxy}oléan-12-én-28-yl]-β [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-L-arabinofuranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->3)]-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-[[(2E,6R)-6-[[6-deoxy-4-O-[(2E,6R)-6-hyd roxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-β-D-glucopyranosyl]oxy]-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadien-1-yl]oxy]-16-hydroxy-28-oxo-3-[[O-β-D-xylopyranosyl-(1->2)-O-6-deoxy-β-D-galac topyranosyl-(1->6)-2-(acetylamino)-2-deoxy-b [ACD/Index Name]
21-O-[(6S)-(2E)-2-hydroxymethyl-6-methyl-6-O-{(2'E)-2',6'-dimethyl-6'-hydroxy- 2',7'-octadienoyl-(1'->4)-β-D-quinovopyranosyl}-2,7-octadienoyl]-3-O-β-D-xylopyranosyl-(1->2)-β-D-fucopyranosyl-(1->6)-β-D-2-acetamido-2-deoxyglucopyranosylacacic acid 28-O-α-L-arabinofuranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranosyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507497/

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: 1.636
Molar Refractivity: 497.8±0.4 cm3
#H bond acceptors: 46
#H bond donors: 24
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 4
ACD/LogP: 8.44
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 611.08
ACD/KOC (pH 5.5): 3432.51
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 611.07
ACD/KOC (pH 7.4): 3432.49
Polar Surface Area: 712 Å2
Polarizability: 197.3±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 1388.6±5.0 cm3

Click to predict properties on the Chemicalize site


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