ChemSpider 2D Image | (3beta)-3-{[4-O-(beta-D-Glucopyranosyl)-beta-D-xylopyranosyl]oxy}-14-hydroxy-19-oxocarda-4,20(22)-dienolide | C34H48O14

(3β)-3-{[4-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-14-hydroxy-19-oxocarda-4,20(22)-dienolide

  • Molecular FormulaC34H48O14
  • Average mass680.737 Da
  • Monoisotopic mass680.304382 Da
  • ChemSpider ID8230904

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β)-3-{[4-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-14-hydroxy-19-oxocarda-4,20(22)-dienolid [German] [ACD/IUPAC Name]
(3β)-3-{[4-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-14-hydroxy-19-oxocarda-4,20(22)-dienolide [ACD/IUPAC Name]
(3β)-3-{[4-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-14-hydroxy-19-oxocarda-4,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-4,20(22)-dienolide, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-14-hydroxy-19-oxo-, (3β)- [ACD/Index Name]
(3S,8R,9S,10S,13R,14S,17R)-3-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
(3S,8R,9S,10S,13R,14S,17R)-3-((2S,3R,4R,5R)-3,4-dihydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)-14-hydroxy-13-methyl-17-(5-oxo-
(3S,8R,9S,10S,13R,14S,17R)-3-[(2S,3R,4R,5R)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
15001-93-1 [RN]
3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carb
3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 919.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.8±6.0 kJ/mol
Flash Point: 289.9±27.8 °C
Index of Refraction: 1.648
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.42
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.42
Polar Surface Area: 222 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


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