ChemSpider 2D Image | elaeodendroside U | C29H40O9

elaeodendroside U

  • Molecular FormulaC29H40O9
  • Average mass532.622 Da
  • Monoisotopic mass532.267212 Da
  • ChemSpider ID20567916

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-3-[(4-Deoxy-3-O-methyl-α-L-erythro-pentopyranosyl)oxy]-2,14-dihydroxy-12-oxocarda-4,20(22)-dienolide [ACD/IUPAC Name]
(2α,3β)-3-[(4-Desoxy-3-O-methyl-α-L-erythro-pentopyranosyl)oxy]-2,14-dihydroxy-12-oxocarda-4,20(22)-dienolid [German] [ACD/IUPAC Name]
(2α,3β)-3-[(4-Désoxy-3-O-méthyl-α-L-érythro-pentopyranosyl)oxy]-2,14-dihydroxy-12-oxocarda-4,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-4,20(22)-dienolide, 3-[(4-deoxy-3-O-methyl-α-L-erythro-pentopyranosyl)oxy]-2,14-dihydroxy-12-oxo-, (2α,3β)- [ACD/Index Name]
elaeodendroside U
4-[(2R,3R,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-{[(2S,3S,4S)-3-hydroxy-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-10,13-dimethyl-12-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL376168/
  • Miscellaneous

    • Chemical Class:

      A cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-<element>O</element>-methyl-<stereo>alpha</st ereo>-<stereo>L</stereo>-erythro-pentopyranosyl)oxy moiety at position 3 (the 2<stereo>alpha</stereo>,3<stereo>beta</stereo> stereoisomer). Isolated from from wood of <ital>Elaeodendron tangenala</ita l>, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. ChEBI CHEBI:65829
      A cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy m oiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65829, CHEBI:65829

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 246.2±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 45.08
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 45.08
Polar Surface Area: 132 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 392.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement