ChemSpider 2D Image | Daucosterol | C35H60O6

Daucosterol

  • Molecular FormulaC35H60O6
  • Average mass576.847 Da
  • Monoisotopic mass576.438965 Da
  • ChemSpider ID4674825
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

Daucosterol [Wiki]
(3b)-Stigmast-5-en-3-yl b-D-Glucopyranoside
(3β)-Stigmast-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1513DMIa
3b-(b-D-glucopyranosyloxy)stigmast-5-ene
3β-(β-D-Glucopyranosyloxy)stigmast-5-ene
3-β-(β-D-Glucopyranosyloxy)stigmast-5-ene
3-β-D-glucosylsitosterol
474-58-8 [RN]
More...

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

AW 10 [DBID]
EU 4906 [DBID]
WA 184 [DBID]
AIDS014857 [DBID]
AIDS-014857 [DBID]
BRN 4359450 [DBID]
NSC 165962 [DBID]
NSC165962 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth Q-100502
    • Chemical Class:

      A steroid saponin that is sitosterol attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from <ital>Panax japonicu s</ital> var. <ital>major</ital> and <ital>Breynia fruticosa</ital>. ChEBI CHEBI:67554
    • Compound Source:

      Isolated from a plant Susan Richardson [Structure for Sitosterol found in ChemSpider, structure for 3-beta-D-glucosylsitosterol found in DOI:]
      Xylopia aethiopica (Annonaceae), Qualea grandiflora (Vochysiaceae), Cupania vernalis (Sapindaceae) Susan Richardson [Structure for Sitosterol found in ChemSpider, structure for 3-beta-D-glucosylsitosterol found in DOI:]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 168582.45
ACD/KOC (pH 5.5): 191835.48
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 168581.34
ACD/KOC (pH 7.4): 191834.22
Polar Surface Area: 99 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 508.7±5.0 cm3

Click to predict properties on the Chemicalize site





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