ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(alpha-L-arabinopyranosyloxy)-6a,9,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a ,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose | C51H80O21

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-6a,9,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a ,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose

  • Molecular FormulaC51H80O21
  • Average mass1029.168 Da
  • Monoisotopic mass1028.519165 Da
  • ChemSpider ID23326646

  • defined stereocentres - 27 of 27 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-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-6a,9,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a ,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-6a,9,9,12a-tetramethyl-2-methylen-1,3,4,5,6,6a,6b,7,8,8a ,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-6a,9,9,12a-tétraméthyl-2-méthylène-1,3,4,5,6,6a,6b,7,8,8 a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H)-picényl]carbonyl}-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-[[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11, 12,12a,12b,13,14b-octadecahydro-6a,9,9,12a-tetramethyl-2-methylene-4a(2H)-picenyl]carbonyl]- [ACD/Index Name]
6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-6a,9,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-4a(2H)-yl]carbonyl}-β-D-glucopyranose
ciwujianoside C1
β-D-glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[[(4aS,6aS,6bR,8aR,10S,12aR,12bS,14bS)-10-(α-L-arabinopyranosyloxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,9,9,12a-tetramethyl-2-methylene-4a(2H)-picenyl]carbonyl]-

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: 1.635
Molar Refractivity: 251.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.38
ACD/KOC (pH 5.5): 738.09
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.38
ACD/KOC (pH 7.4): 738.08
Polar Surface Area: 334 Å2
Polarizability: 99.5±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 700.8±5.0 cm3

Click to predict properties on the Chemicalize site


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