ChemSpider 2D Image | (3beta,5alpha,6beta,17Z,25R)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}-5,6-dihydroxy-16,22-diox ocholest-17-en-26-yl beta-D-glucopyranoside | C57H92O28

(3β,5α,6β,17Z,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}-5,6-dihydroxy-16,22-diox ocholest-17-en-26-yl β-D-glucopyranoside

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID113385314

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 34 of 34 defined stereocentres

More details:

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

(3β,5α,6β,17Z,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}-5,6-dihydroxy-16,22-diox 
ocholest-17-en-26-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,6β,17Z,25R)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->;2)-[6-desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}-5,6-dihydroxy-16,22-d 
ioxocholest-17-en-26-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-17-ene-16,22-dione, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[O-6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy]-26-(β-D-glucopyr anosyloxy)-5,6-dihydroxy-, (3β,5α,6β,17Z,25R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,5α,6β,17Z,25R)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl] ;oxy}-5,6-dihydroxy-16,22-dioxocholest-17-én-26-yle [French] [ACD/IUPAC Name]
26-O-β-D-glucopyranosyl-(25R)-furost-17-en-16,22-dione-3β,5α,6β,26-tetrahydroxy-3-O-α-l-rhamnopyranosyl-(1-4)-α-l-rhamnopyranosyl-(1-4)-[α-l-rhamnopyranosyl-(1-2)]-β-D-glucopyranoside
3-O-(Rhaa1-4Rhaa1-4(Rhaa1-2)Glcb)-(25R)-furost-5en,26,22-dione-3β,5α,6β,26-tetrol
Trillfurostanoside A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 288.6±0.4 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 450 Å2
Polarizability: 114.4±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 801.3±5.0 cm3

Click to predict properties on the Chemicalize site


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