ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl} -beta-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy}-16-hydrox y-28-oxoolean-12-en-28-yl]-beta-D-glucopyran | C102H162O48

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl} -β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-16-hydrox y-28-oxoolean-12-en-28-yl]-β-D-glucopyran

  • Molecular FormulaC102H162O48
  • Average mass2156.349 Da
  • Monoisotopic mass2155.023438 Da
  • ChemSpider ID28533004

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 55 of 55 defined stereocentres

More details:

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

β-D-Glucopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-[[(2E,6S)-6-[[6-deoxy-4-O-[(2E,6R)-6-[(6-deoxy-β-D-glucopyranosyl)oxy]-2,6 
-dimethyl-1-oxo-2,7-octadien-1-yl]-β-D-glucopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]oxy]-3-[[O-β-D-glucopyranosyl-(1->2)-O-[O-β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyrano syl-(1->6)]-β-D-glucopyranosyl]oxy]-16-hy [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl} ; -β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-16-hydrox ;y-28-oxoolean-12-en-28-yl]-β-D-glucopyran [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-desoxy-4-O-{(2E,6R)-6-[(6-desoxy-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadieno ; yl}-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-desoxy-β-D-galactopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-16-hy ;droxy-28-oxoolean-12-en-28-yl]-β-D-glucop [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-désoxy-4-O-{(2E,6R)-6-[(6-désoxy-β-D-glucopyranosyl)oxy]-2,6-diméthyl-2,7-octadieno ; yl}-β-D-glucopyranosyl)oxy]-2,6-diméthyl-2,7-octadienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-désoxy-β-D-galactopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-16-hy ;droxy-28-oxooléan-12-én-28-yl]-β-D-glucop [French] [ACD/IUPAC Name]
gummiferaoside A
y-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
-β-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-16-hydrox
β-D-xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-β-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}
β-D-xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(3β,16α,21β)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-β-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-β-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3-{[β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->;6)]-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
  • Miscellaneous

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: 1.638
Molar Refractivity: 516.9±0.4 cm3
#H bond acceptors: 48
#H bond donors: 25
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.18
ACD/KOC (pH 5.5): 408.00
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.18
ACD/KOC (pH 7.4): 407.99
Polar Surface Area: 742 Å2
Polarizability: 204.9±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 1437.8±5.0 cm3

Click to predict properties on the Chemicalize site


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