ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi)-3-{[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-28-oxours-12-en-28-yl]-beta-D-glucopyranose | C47H76O17

1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxours-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID84487410

  • defined stereocentres - 22 of 24 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-28-oxours-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
126622-38-6 [RN]
CID 146115855
Matesaponin 1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 974.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.9±6.0 kJ/mol
Flash Point: 277.8±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 228.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1237.53
ACD/KOC (pH 5.5): 5688.17
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1237.52
ACD/KOC (pH 7.4): 5688.12
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 652.8±5.0 cm3

Click to predict properties on the Chemicalize site


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