ChemSpider 2D Image | (3beta,13alpha,16alpha,17alpha)-16,30-Dihydroxy-28-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranosi de | C53H86O23

(3β,13α,16α,17α)-16,30-Dihydroxy-28-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosi de

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID17267165

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,13α,16α,17α)-16,30-Dihydroxy-28-oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosi de [ACD/IUPAC Name]
(3β,13α,16α,17α)-16,30-Dihydroxy-28-oxo-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranos id [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside de (3β,13α,16α,17α)-16,30-dihydroxy-28-oxo-13,28-époxyoléana n-3-yle [French] [ACD/IUPAC Name]
Oleanan-28-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy]-13,28-epoxy-16,30-dihydroxy-, (3β,13α,1
 6α,17α)- [ACD/Index Name]
3-β-O-β-D-glucopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->2)-β-Dglucopyranosyl-(1->4)]-α-L-arabinopyranosyl-16-α,30-dihydroxyolean28,13-β-olide
ARDISIANOSIDE I
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL412631/

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: 1.638
Molar Refractivity: 262.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 129.61
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 129.61
Polar Surface Area: 363 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 729.6±5.0 cm3

Click to predict properties on the Chemicalize site


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