ChemSpider 2D Image | Acovenoside B | C32H48O10

Acovenoside B

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID16736738

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1b,3b,5b)-1-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-talopyranosyl)oxy]-14-hydroxyCard-20(22)-enolide
(1β,3β,5β)-1-Acetoxy-3-[(6-deoxy-3-O-methyl-α-L-talopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5β)-1-Acetoxy-3-[(6-desoxy-3-O-methyl-α-L-talopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5β)-1-Acétoxy-3-[(6-désoxy-3-O-méthyl-α-L-talopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
32062-05-8 [RN]
Acovenoside B
Card-20(22)-enolide, 1-(acetyloxy)-3-[(6-deoxy-3-O-methyl-α-L-talopyranosyl)oxy]-14-hydroxy-, (1β,3β,5β)- [ACD/Index Name]
(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,3R,4R,5R,6S)-3,5-Dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3391787/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 231.1±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.95
ACD/KOC (pH 5.5): 274.94
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.95
ACD/KOC (pH 7.4): 274.94
Polar Surface Area: 141 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 455.0±5.0 cm3

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