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Search term: 8254125 (Found by CSID)
ChemSpider 2D Image | cumingianoside E | C40H64O11

cumingianoside E

  • Molecular FormulaC40H64O11
  • Average mass720.930 Da
  • Monoisotopic mass720.444885 Da
  • ChemSpider ID8254125

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3α,7α,17α,20S,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23-hydroxy-24,25-epoxy-13,30-cyclodammaran-3-yl acetate [ACD/IUPAC Name]
(3α,7α,17α,20S,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23-hydroxy-24,25-epoxy-13,30-cyclodammaran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,17α,20S,23R,24S)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-23-hydroxy-24,25-époxy-13,30-cyclodammaran-3-yle [French] [ACD/IUPAC Name]
cumingianoside E
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24S)-3-(acetyloxy)-24,25-epoxy-23-hydroxy-13,30-cyclodammaran-7-yl, 6-acetate [ACD/Index Name]
3-O-acetyl-3α,7α,23-trihydroxy-24,25-epoxy-l4,18-cycloapoeuphanyl 7-O-β-D-(6'-O-acetyl)glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol esterified to the corresponding acetate at position 3 and attached to a 6-<element>O</element>-acetyl-<stereo>beta</stereo> -<stereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from <ital>Dysoxylum cumingianum</ital> it exhibits antileukemic activity. ChEBI CHEBI:65693
      A triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta; -D-glucopyranosyl residue at posit ion 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum it exhibits antileukemic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65693
      A triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at positio n 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum it exhibits antileukemic activity. ChEBI CHEBI:65693

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 223.1±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 187.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21633.93
ACD/KOC (pH 5.5): 44124.09
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21633.74
ACD/KOC (pH 7.4): 44123.70
Polar Surface Area: 165 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 570.8±5.0 cm3

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