ChemSpider 2D Image | (22S,25S)-3-{[6-Deoxy-beta-D-allopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl beta-L-allopyranoside | C57H92O28

(22S,25S)-3-{[6-Deoxy-β-D-allopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl β-L-allopyranoside

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID10145834
  • defined stereocentres - 35 of 36 defined stereocentres


More details:






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

(22S,25S)-3-{[6-Deoxy-β-D-allopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->;3)-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl β-L-allopyranoside [ACD/IUPAC Name]
(22S,25S)-3-{[6-Desoxy-β-D-allopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl-β-L-allopyranosid [German] [ACD/IUPAC Name]
β-L-Allopyranoside de (22S,25S)-3-{[6-désoxy-β-D-allopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-22,25-époxyfurost-5-én-26-yle [French] [ACD/IUPAC Name]
β-L-Allopyranoside, (22β,25S)-3-[[O-6-deoxy-β-D-allopyranosyl-(1->6)-O-[O-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-22,25-epoxyfurost-5-en-26-yl [ACD/Index Name]
Avenacoside B

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 288.0±0.4 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.84
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 434 Å2
Polarizability: 114.2±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 783.2±5.0 cm3

Click to predict properties on the Chemicalize site






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