ChemSpider 2D Image | (2beta,3alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,15beta,17beta,22S,25S)-2,15-Dihydroxyspirostan-3-yl beta-L-glucopyranosyl-(1->3)-beta-L-glucopyranosyl-(1->2)-[beta-L-xylopyranosyl-(1->3)]-beta -L-glucopyranosyl-(1->4)-beta-L-glucopyranoside | C56H92O29

(2β,3α,5β,8α,9β,10α,13α,14β,15β,17β,22S,25S)-2,15-Dihydroxyspirostan-3-yl β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-β -L-glucopyranosyl-(1->4)-β-L-glucopyranoside

  • Molecular FormulaC56H92O29
  • Average mass1229.312 Da
  • Monoisotopic mass1228.572388 Da
  • ChemSpider ID61711118

  • defined stereocentres - 38 of 38 defined stereocentres

More details:

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

(2β,3α,5β,8α,9β,10α,13α,14β,15α,17β,22S,25S)-2,15-Dihydroxyspirostan-3-yl β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-bet 
a-L-glucopyranosyl-(1->4)-β-L-glucopyranoside [ACD/IUPAC Name]
(2β,3α,5β,8α,9β,10α,13α,14β,15α,17β,22S,25S)-2,15-Dihydroxyspirostan-3-yl-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-bet 
a-L-glucopyranosyl-(1->4)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
(2β,3α,5β,8α,9β,10α,13α,14β,15β,17β,22S,25S)-2,15-Dihydroxyspirostan-3-yl β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-β 
-L-glucopyranosyl-(1->4)-β-L-glucopyranoside [ACD/IUPAC Name]
(2β,3α,5β,8α,9β,10α,13α,14β,15β,17β,22S,25S)-2,15-Dihydroxyspirostan-3-yl-β-L-glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-β 
-L-glucopyranosyl-(1->4)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside, (2β,3α,5β,8α,9β,10α,13α,14β,15α,17β,22S,25S)-2,15-dihydroxyspirostan-3-yl O-β-L-glucopyranosyl-(1->3)-O-β-L-glucopyranosyl-(1->2)-O-[be ;ta-L-xylopyranosyl-(1->3)]-O-β-L-glucopyranosyl-(1->4)- [ACD/Index Name]
β-L-Glucopyranoside, (2β,3α,5β,8α,9β,10α,13α,14β,15β,17β,20β,22S,25S)-2,15-dihydroxyspirostan-3-yl O-β-L-glucopyranosyl-(1->3)-O-β-L-glucopyranosyl-(1->2) -O-[β-L-xylopyranosyl-(1->3)]-O-β-L-glucopyranosyl-(1->4)- [ACD/Index Name]
β-L-Glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-β-L-glucopyranosyl-(1->4)-β-L-glucopyranoside de (2β,3α,5β,8α,9β,10α,13α,14β,1
 5α,17β,22S,25S)-2,15-dihydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranosyl-(1->3)-β-L-glucopyranosyl-(1->2)-[β-L-xylopyranosyl-(1->3)]-β-L-glucopyranosyl-(1->4)-β-L-glucopyranoside de (2β,3α,5β,8α,9β,10α,13α,14β,1
 5β,17β,22S,25S)-2,15-dihydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
AJP
Digitonin

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: 1.660
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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