ChemSpider 2D Image | (3beta,13xi,16beta,17xi)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-beta-D-galactopyranoside | C48H78O17

(3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID165821
  • defined stereocentres - 23 of 25 defined stereocentres


More details:






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

(3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,13ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,13ξ,16β,17ξ)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-6-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-désoxy-β-D-galactopyranoside de (3β,13ξ,16β,17ξ)-16-hydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl-glucopyranosyl-1-2-(glucopyranosyl-1-3)fucopyranoside
159122-01-7 [RN]
Clinoposaponin XI
β-D-Galactopyranoside, (3β,16β)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-β-D-glucopyranosyl-(1-2)-O-(β-D-glucopyranosyl-(1-3))-6-deoxy-

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 233.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.06
ACD/KOC (pH 5.5): 488.14
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.06
ACD/KOC (pH 7.4): 488.14
Polar Surface Area: 267 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 660.1±5.0 cm3

Click to predict properties on the Chemicalize site






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