ChemSpider 2D Image | tsugarioside C | C38H58O8

tsugarioside C

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID8922064
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

1-O-[(3α,23Z)-3-Acetoxy-24-methyl-21-oxolanosta-8,23,25-trien-21-yl]-β-D-xylopyranose [German] [ACD/IUPAC Name]
1-O-[(3α,23Z)-3-Acetoxy-24-methyl-21-oxolanosta-8,23,25-trien-21-yl]-β-D-xylopyranose [ACD/IUPAC Name]
1-O-[(3α,23Z)-3-Acétoxy-24-méthyl-21-oxolanosta-8,23,25-trién-21-yl]-β-D-xylopyranose [French] [ACD/IUPAC Name]
tsugarioside C
β-D-Xylopyranose, 1-O-[(3α,23Z)-3-(acetyloxy)-24-methyl-21-oxolanosta-8,23,25-trien-21-yl]- [ACD/Index Name]
1-O-[(3α,23Z)-3-(acetyloxy)-24-methyl-21-oxolanosta-8,23,25-trien-21-yl]-β-D-xylopyranose
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66278
  • Miscellaneous
    • Chemical Class:

      A triterpenoid saponin that is (23<stereo>Z</stereo>)-24-methyllanosta-8,23,25-trien-21-oic acid substituted by an acetyloxy group at position 3 and a <stereo>beta</stereo>-<stereo>D</stereo>-xylopyr anosyl residue at position 21 via a glycosidic linkage. It has been isolated from the fruit bodied of <ital>Ganoderma tsugae</ital> and exhibits cytotoxic activity against several different cancer cel l lines. ChEBI CHEBI:66278
      A triterpenoid saponin that is (23Z)-24-methyllanosta-8,23,25-trien-21-oic acid substituted by an acetyloxy group at position 3 and a beta-D-xylopyr; anosyl residue at position 21 via a glycosidic li nkage. It has been isolated from the fruit bodied of Ganoderma tsugae and exhibits cytotoxic activity against several different cancer cel; l lines. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66278

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 200.1±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 687002.63
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 686995.13
Polar Surface Area: 123 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 544.9±5.0 cm3

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