ChemSpider 2D Image | 6-{[9-Acetoxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl]oxy}-5-({5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-methylt etrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid | C49H76O20

6-{[9-Acetoxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl]oxy}-5-({5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-methylt etrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID140676

More details:

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

6-{[9-Acetoxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl]oxy}-5-({5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-methylt etrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[9-Acetoxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl]oxy}-5-({5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-methylt etrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[9-acétoxy-11-carboxy-4-(hydroxyméthyl)-4,6a,6b,8a,11,14b-hexaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picényl]oxy}-5-({5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-m éthyltétrahydro-2H-pyran-2-yl)oxy]tétrahydro-2H-pyran-3-yl}oxy)-3,4-dihydroxytétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
136027-06-0 [RN]
Wistariasaponin G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1040.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.2±6.0 kJ/mol
Flash Point: 293.9±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 239.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 95.1±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 683.6±5.0 cm3

Click to predict properties on the Chemicalize site


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