ChemSpider 2D Image | 1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-O-(alpha-L-Arabinopyranosyl)-alpha-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octa decahydro-4a(2H)-picenyl]carbonyl}-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose | C51H80O21

1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-O-(α-L-Arabinopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octa decahydro-4a(2H)-picenyl]carbonyl}-6-O-β-D-glucopyranosyl-β-D-glucopyranose

  • Molecular FormulaC51H80O21
  • Average mass1029.168 Da
  • Monoisotopic mass1028.519165 Da
  • ChemSpider ID58922955

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-O-(α-L-Arabinopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylen-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octad ecahydro-4a(2H)-picenyl]carbonyl}-6-O-β-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-O-(α-L-Arabinopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octa decahydro-4a(2H)-picenyl]carbonyl}-6-O-β-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-O-(α-L-Arabinopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pentaméthyl-2-méthylène-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octa décahydro-4a(2H)-picényl]carbonyl}-6-O-β-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(3-O-α-L-arabinopyranosyl-α-L-arabinopyranosyl)oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,6b,9,
 9,12a-pentamethyl-2-methylene-4a(2H)-picenyl]carbonyl]-6-O-β-D-glucopyranosyl- [ACD/Index Name]

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: 251.1±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.27
ACD/KOC (pH 5.5): 1432.58
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.27
ACD/KOC (pH 7.4): 1432.57
Polar Surface Area: 334 Å2
Polarizability: 99.5±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 700.0±5.0 cm3

Click to predict properties on the Chemicalize site


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