ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta,5xi,9xi)-3-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C54H88O22

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC54H88O22
  • Average mass1089.263 Da
  • Monoisotopic mass1088.576782 Da
  • ChemSpider ID114928713

  • defined stereocentres - 26 of 28 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-(β-D-glucopyranosyloxy)-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aS,6bR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
161400-71-1 [RN]
Cirensenoside B

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: 1.629
Molar Refractivity: 266.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 100.16
ACD/KOC (pH 5.5): 940.67
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.16
ACD/KOC (pH 7.4): 940.66
Polar Surface Area: 354 Å2
Polarizability: 105.8±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 751.3±5.0 cm3

Click to predict properties on the Chemicalize site


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