ChemSpider 2D Image | (2alpha,3alpha,5alpha,15beta,20R,22S,25R)-2,15-Dihydroxyspirostan-3-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | C56H92O29

(2α,3α,5α,15β,20R,22S,25R)-2,15-Dihydroxyspirostan-3-yl β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC56H92O29
  • Average mass1229.312 Da
  • Monoisotopic mass1228.572388 Da
  • ChemSpider ID24589735
  • defined stereocentres - 38 of 38 defined stereocentres


More details:






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

(2α,3α,5α,15β,20R,22S,25R)-2,15-Dihydroxyspirostan-3-yl β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->;4)-β-D-glu 
copyranoside [ACD/IUPAC Name]
(2α,3α,5α,15β,20R,22S,25R)-2,15-Dihydroxyspirostan-3-yl β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->;4)-β-D-glucopyranoside
(2α,3α,5α,15β,20R,22S,25R)-2,15-Dihydroxyspirostan-3-yl-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->;4)-β-D-glu 
copyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2α,3α,5α,15β,20β,22S,25R)-2,15-dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β -D-glucopyranosyl-(1->4)- [ACD/Index Name]
β-D-glucopyranoside, (2α,3α,5α,15β,20β,22S,25R)-2,15-dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-O-β-D-glucopyranosyl-(1->4)-
β-D-Glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-glucopyranoside de (2α,3α,5α,15β,20R,22S,25R)-2,15-dihydrox 
yspirostan-3-yle [French] [ACD/IUPAC Name]
11024-24-1 [RN]
Digitonin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 285.1±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 455 Å2
Polarizability: 113.0±0.5 10-24cm3
Surface Tension: 93.2±5.0 dyne/cm
Molar Volume: 772.6±5.0 cm3

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