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-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}-beta-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[6-deoxy-beta-D-galactopyranosyl-(1->6)-[beta-D-gluco pyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy} | C113H178O50

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-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}-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[6-deoxy-β-D-galactopyranosyl-(1->6)-[β-D-gluco pyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}

  • Molecular FormulaC113H178O50
  • Average mass2336.592 Da
  • Monoisotopic mass2335.138672 Da
  • ChemSpider ID28533006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 57 of 57 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-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]-β-D-glucopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]oxy]-3-[[O- 6-deoxy-β-D-galactopyranosyl-(1->6)-O-[be [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-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}-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[6-deoxy-β-D-galactopyranosyl-(1->6)-[β-D-gluco pyranosyl-(1->2)]-β-D-glucopyranosyl]oxy} [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-4-O-{(2E,6R)-6-[(6-desoxy-β-D-glucopyranosyl)oxy]- ; 2,6-dimethyl-2,7-octadienoyl}-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}-β-D-glucopyranosyl)oxy]-2,6-dimethyl-2,7-octadienoyl}oxy)-3-{[6-desoxy-β-D-galactopyranosyl-(1->6)-[β-D- glucopyranosyl-(1->;2)]-β-D-glucopyranosyl [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-4-O-{(2E,6R)-6-[(6-désoxy-β-D-glucopyranosyl)oxy]- ; 2,6-diméthyl-2,7-octadienoyl}-β-D-glucopyranosyl)oxy]-2,6-diméthyl-2,7-octadienoyl}-β-D-glucopyranosyl)oxy]-2,6-diméthyl-2,7-octadienoyl}oxy)-3-{[6-désoxy-β-D-galactopyranosyl-(1->6)-[β-D- glucopyranosyl-(1->;2)]-β-D-glucopyranosyl [French] [ACD/IUPAC Name]
gummiferaoside C
  • 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: 1.628
Molar Refractivity: 569.1±0.4 cm3
#H bond acceptors: 50
#H bond donors: 25
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 8.83
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 408.10
ACD/KOC (pH 5.5): 2571.06
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 408.10
ACD/KOC (pH 7.4): 2571.05
Polar Surface Area: 768 Å2
Polarizability: 225.6±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 1603.5±5.0 cm3

Click to predict properties on the Chemicalize site


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