ChemSpider 2D Image | Primulasaponin | C54H88O23

Primulasaponin

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID30791204

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16α)-16-Hydroxy-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
65312-86-9 [RN]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronique de (3β,16α)-16-hydroxy-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Primulasaponin
β-D-Glucopyranosiduronic acid, (3β,16α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->2)]- [ACD/Index Name]
(3β,13α,16α,17α)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosiduronic acid

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

31660-87-4; 65312-86-9 [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: 1.634
Molar Refractivity: 266.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 6.54
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 105.8±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 746.1±5.0 cm3

Click to predict properties on the Chemicalize site


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