ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2beta,3beta,5xi,9xi,16alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2,16,23-trihy droxy-28-oxoolean-12-en-28-yl}-beta-D-galactopyranose | C59H96O26

6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2β,3β,5ξ,9ξ,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihy droxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID29814891

  • defined stereocentres - 33 of 35 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2β,3β,5ξ,9ξ,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihy 
droxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-1-O-{(2β,3β,5ξ,9ξ,16α)-3-[(6-desoxy-α-L-mannopyranosyl)oxy]-2,16,23-t 
rihydroxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-1-O-{(2β,3β,5ξ,9ξ,16α)-3-[(6-désoxy-α-L-mannopyranosyl)oxy]-2,16,23-t 
rihydroxy-28-oxooléan-12-én-28-yl}-β-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galactopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,5ξ,9ξ,16α)-3-[(6-deoxy-α-L-man nopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5R,6aS,6bR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
121340-61-2 [RN]
Bellissaponin BS1
NCGC00385241-01C59H96O266-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2β,3β,5ξ,9ξ,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose

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: 1.636
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.94
ACD/KOC (pH 5.5): 415.06
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.94
ACD/KOC (pH 7.4): 415.06
Polar Surface Area: 413 Å2
Polarizability: 116.7±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 821.4±5.0 cm3

Click to predict properties on the Chemicalize site


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