ChemSpider 2D Image | dipsacussaponin A | C42H68O14

dipsacussaponin A

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID28484227

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

1-O-[(3β)-3,23-Dihydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3,23-Dihydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3,23-Dihydroxy-28-oxooléan-12-én-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
99624-66-5 [RN]
dipsacussaponin A
β-D-Glucopyranose, 1-O-[(3β)-3,23-dihydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl- [ACD/Index Name]
hederagenin 28-O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 887.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 259.7±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 459.42
ACD/KOC (pH 5.5): 2798.55
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 459.41
ACD/KOC (pH 7.4): 2798.53
Polar Surface Area: 236 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 579.7±5.0 cm3

Click to predict properties on the Chemicalize site


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