ChemSpider 2D Image | (3beta,5xi,9xi,13xi,14xi,16beta,17xi)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl beta-D-allopyranosyl-(1->6)-[6-deoxy-beta-D-gulopyranosyl-(1->4)]-beta-D-allopyranoside | C48H78O17

(3β,5ξ,9ξ,13ξ,14ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-allopyranosyl-(1->6)-[6-deoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID10142675
  • defined stereocentres - 20 of 25 defined stereocentres


More details:






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

(3β,5ξ,9ξ,13ξ,14ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl β-D-allopyranosyl-(1->6)-[6-deoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ,14ξ,16β,17ξ)-16-Hydroxy-13,28-epoxyolean-11-en-3-yl-β-D-allopyranosyl-(1->6)-[6-desoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,5ξ,9ξ,13ξ,14ξ,16β,17ξ)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-β-D-allopyranosyl-(1->6)-O-[6-deoxy-β-D-gulopyranosyl-(1->4)]- [ACD/Index Name]
β-D-Allopyranosyl-(1->6)-[6-désoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside de (3β,5ξ,9ξ,13ξ,14ξ,16β,17ξ)-16-hydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
Saikosaponin C

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: 4.06
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.37
ACD/KOC (pH 5.5): 1027.87
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.37
ACD/KOC (pH 7.4): 1027.87
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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