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Search term: 8503002 (Found by CSID)
ChemSpider 2D Image | cumingianoside D | C40H64O11

cumingianoside D

  • Molecular FormulaC40H64O11
  • Average mass720.930 Da
  • Monoisotopic mass720.444885 Da
  • ChemSpider ID8503002

  • 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,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxy-13,30-cyclodammar-25-en-3-yl acetate [ACD/IUPAC Name]
(3α,7α,17α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxy-13,30-cyclodammar-25-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,17α,20S,23R,24R)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxy-13,30-cyclodammar-25-én-3-yle [French] [ACD/IUPAC Name]
cumingianoside D
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24R)-3-(acetyloxy)-23,24-dihydroxy-13,30-cyclodammar-25-en-7-yl, 6-acetate [ACD/Index Name]
3-O-acetyl-3α,7α,23,24-tetrahydroxy-14,18-cycloapoeuph-25-enyl 7-O-β-D-(6'-O-acetyl)glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is 13,30-cyclodammar-25-ene-3,7,23,24-tetrol esterified to the corresponding acetate at position 3 and attached to a 6-<element>O</element>-acetyl-<stereo>beta</stereo>-<st ereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from <ital>Dysoxylum cumingianum</ital>, it exhibits antileukemic activity. ChEBI CHEBI:65692
      A triterpenoid saponin that is 13,30-cyclodammar-25-ene-3,7,23,24-tetrol esterified to the corresponding acetate 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:65692, CHEBI:65692

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

Density: 1.3±0.1 g/cm3
Boiling Point: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±6.0 kJ/mol
Flash Point: 232.5±26.4 °C
Index of Refraction: 1.571
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14539.60
ACD/KOC (pH 5.5): 33200.34
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14539.47
ACD/KOC (pH 7.4): 33200.04
Polar Surface Area: 172 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 575.6±5.0 cm3

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