Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | cumingianoside A | C40H66O12

cumingianoside A

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID8615408

  • 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]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yl acetate [ACD/IUPAC Name]
(3α,7α,17α,20S,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-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]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yle [French] [ACD/IUPAC Name]
cumingianoside A
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24S)-3-(acetyloxy)-23,24,25-trihydroxy-13,30-cyclodammaran-7-yl, 6-acetate [ACD/Index Name]
[(2R,3S,4S,5R,6R)-6-{[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-7-(acetyloxy)-2,6,6,10-tetramethyl-15-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[12.3.1.01,14.02,11.05,10]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-O-acetyl-3α,7α,23,24,25-pentahydroxy14,18-cycloapoeuphanyl 7-O-β-D-(6'-O-acetyl)glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451574/
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is 13,30-cyclodammarane-3,7,23,24,25-pentol esterified to the corresponding acetate at position 3 and attached to a 6-<element>O</element>-acetyl-<stereo>beta</stereo>-<ste reo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from <ital>Dysoxylum cumingianum</ital>, it exhibits antileukemic activity. ChEBI CHEBI:65689
      A triterpenoid saponin that is 13,30-cyclodammarane-3,7,23,24,25-pentol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 v ia a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65689, CHEBI:65689

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 242.5±27.8 °C
Index of Refraction: 1.576
Molar Refractivity: 191.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2662.84
ACD/KOC (pH 5.5): 9850.49
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2662.82
ACD/KOC (pH 7.4): 9850.41
Polar Surface Area: 192 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 578.0±5.0 cm3

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