ChemSpider 2D Image | (3beta,16alpha)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranoside | C58H94O27

(3β,16α)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranoside

  • Molecular FormulaC58H94O27
  • Average mass1223.351 Da
  • Monoisotopic mass1222.598267 Da
  • ChemSpider ID390491

  • defined stereocentres - 34 of 34 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-glucopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosi
 de [ACD/IUPAC Name]
(3β,16α)-16-hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-glucopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranoside
(3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl-β-D-glucopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosi
 d [German] [ACD/IUPAC Name]
oleanan-30-al, 13,28-epoxy-3-[[O-β-D-glucopyranosyl-(1->2)-O-[O-β-D-glucopyranosyl-(1->3)-O-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]-16-hydroxy-, (3β,16α)-
Oleanan-30-al, 13,28-epoxy-3-[[O-β-D-glucopyranosyl-(1->2)-O-[O-β-D-glucopyranosyl-(1->3)-O-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]-16-hydroxy-, (3β,16α)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->;4)]-α-L-arabinopyranoside de (3β,16α)-16-hydroxy-30-oxo-13,28-époxyoléanan
 -3-yle [French] [ACD/IUPAC Name]
23643-76-7 [RN]
cyclamin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL373379/
OLEANAN-29-AL,13,28-EPOXY-3-[(O-B-D-GLUCOPYRANOSYL-(1¸3)-O-[B-D-XYLOPYRANOSYL-(1¸2)]-O-B-D-GLUCOPYRANOSYL-(1¸4)-O-[B-D-GLUCOPYRANOSYL-(1¸2)]-A-L-ARABINOPYRANOSYL)OXY]-16-HYDROXY-,(3B,16A,20B)-

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

C08938 [DBID]

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: 1.647
Molar Refractivity: 290.1±0.4 cm3
#H bond acceptors: 27
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.28
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.28
Polar Surface Area: 422 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 798.7±5.0 cm3

Click to predict properties on the Chemicalize site


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