ChemSpider 2D Image | 1-O-[(5xi,8xi,9xi,10xi,17xi,18xi)-3-{[beta-D-Allopyranosyl-(1->2)-[beta-D-allopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-allopyranose | C54H88O23

1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-allopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-allopyranose

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID10142549

  • defined stereocentres - 21 of 28 defined stereocentres

More details:

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

1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-allopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-allopyranose [ACD/IUPAC Name]
1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-allopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-allopyranose [German] [ACD/IUPAC Name]
1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-allopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-β-D-allopyranose [French] [ACD/IUPAC Name]
β-D-Allopyranose, 1-O-[(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-[[O-β-D-allopyranosyl-(1->;2)-O-[β-D-allopyranosyl-(1->3)]-β-D-allopyranosyl]oxy]-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
Aralia-saponin V

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: 1.637
Molar Refractivity: 268.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.74
ACD/KOC (pH 5.5): 536.75
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.74
ACD/KOC (pH 7.4): 536.74
Polar Surface Area: 374 Å2
Polarizability: 106.4±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 748.4±5.0 cm3

Click to predict properties on the Chemicalize site


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