Found 1 result

Search term: 8163223 (Found by CSID)
ChemSpider 2D Image | cumingianoside C | C41H68O12

cumingianoside C

  • Molecular FormulaC41H68O12
  • Average mass752.971 Da
  • Monoisotopic mass752.471069 Da
  • ChemSpider ID8163223

  • 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-dihydroxy-25-methoxy-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-dihydroxy-25-methoxy-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-dihydroxy-25-méthoxy-13,30-cyclodammaran-3-yle [French] [ACD/IUPAC Name]
cumingianoside C
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24S)-3-(acetyloxy)-23,24-dihydroxy-25-methoxy-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)-15-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is 25-methoxy-13,30-cyclodammarane-3,7,23,24-tetrol esterified to the coressponding acetate ester 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:65691
      A triterpenoid saponin that is 25-methoxy-13,30-cyclodammarane-3,7,23,24-tetrol esterified to the coressponding acetate ester at position 3 and attached to a 6-O-acetyl-beta; -D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65691
      A triterpenoid saponin that is 25-methoxy-13,30-cyclodammarane-3,7,23,24-tetrol esterified to the coressponding acetate ester at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue a t position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. ChEBI CHEBI:65691

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.6±6.0 kJ/mol
Flash Point: 236.3±27.8 °C
Index of Refraction: 1.564
Molar Refractivity: 196.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13509.46
ACD/KOC (pH 5.5): 31499.17
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13509.35
ACD/KOC (pH 7.4): 31498.89
Polar Surface Area: 181 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 602.7±5.0 cm3

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