ChemSpider 2D Image | 16,23-epoxy-5beta-cholestane triglycoside | C45H74O17

16,23-epoxy-5β-cholestane triglycoside

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID8277724

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,5β,16β,22R,23S)-22-Hydroxy-16,23-epoxycholest-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,16β,22R,23S)-22-Hydroxy-16,23-epoxycholest-24-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->;2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
16,23-epoxy-5β-cholestane triglycoside
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de (3β,5β,16β,22R,23S)-22-hydroxy-16,23-époxycholest-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,16β,22R,23S)-16,23-epoxy-22-hydroxycholest-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)- [ACD/Index Name]
[β]-D-Glucopyranoside, (3[β],5[β],16[β],22R,23S)-16,23-epoxy-22-hydroxycholest-24-en-3-yl O-6-deoxy-[α]-L-mannopyranosyl-(1[to]2)-O-[β]-D-glucopyranosyl-(1[to]2)- (9CI)
168843-94-5 [RN]
  • Miscellaneous

    • Chemical Class:

      A sterol 3-<stereo>beta</stereo>-<stereo>D</stereo>-glucoside that is 16,23-epoxycholest-24-ene-3,22-diol substituted by a 6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-mannopyranosyl-(1<arrow>rig ht</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl moiety at position 3 via a glycosidic linkage (the 3<stereo>beta</stereo>,5<stereo>beta</stereo>,16<stereo>beta</stereo>,22<stereo>R</stereo>,23<stereo>S</stereo> stereoisomer). Isolated from bulbs of <ital>Ornithogalum saundersiae</ital>, it exhibit s inhibitory activity on proliferation of human peripheral blood lymphocytes. ChEBI CHEBI:65855
      A sterol 3-beta-D-glucoside that is 16,23-epoxycholest-24-ene-3,22-diol substituted by a 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl moiety at position 3 v ia a glycosidic linkage (the 3beta,5beta,16beta,22R,23S stereoisomer). Isolated from bulbs of Ornithogalum saundersiae, it exhibits inhibitory activity on proliferation of human peripheral blood lymph ocytes. ChEBI CHEBI:65855

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

Density: 1.4±0.1 g/cm3
Boiling Point: 976.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.3±6.0 kJ/mol
Flash Point: 544.3±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 220.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4005.65
ACD/KOC (pH 5.5): 13185.88
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4005.64
ACD/KOC (pH 7.4): 13185.83
Polar Surface Area: 267 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 631.9±5.0 cm3

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