ChemSpider 2D Image | [(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | C47H76O17

[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID8947407

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

2-O-(6-Desoxy-α-L-mannopyranosyl)-1-O-[(3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-1-O-[(3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
2-O-(6-deoxy-α-L-mannopyranosyl)-1-O-[(3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
asterlingulatoside B
α-L-arabinopyranose, 2-O-(6-deoxy-α-L-mannopyranosyl)-1-O-[(3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 963.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.1±6.0 kJ/mol
Flash Point: 274.2±27.8 °C
Index of Refraction: 1.618
Molar Refractivity: 228.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 959.69
ACD/KOC (pH 5.5): 4741.67
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 959.68
ACD/KOC (pH 7.4): 4741.65
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 652.6±5.0 cm3

Click to predict properties on the Chemicalize site


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