ChemSpider 2D Image | 6-O-beta-D-Glucopyranosyl-1-O-[(3beta)-3-{[beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C59H96O27

6-O-β-D-Glucopyranosyl-1-O-[(3β)-3-{[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC59H96O27
  • Average mass1237.377 Da
  • Monoisotopic mass1236.613892 Da
  • ChemSpider ID10259073

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

140360-29-8 [RN]
6-O-β-D-Glucopyranosyl-1-O-[(3β)-3-{[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(3β)-3-{[β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(3β)-3-{[β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[(3β)-3-[[O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy]-23-hydroxy-28-oxoolean-12-en-28-yl ; ]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Giganteaside J
Giganteoside J
Macranthoidin A

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

92L57773OD [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: 1.644
Molar Refractivity: 296.0±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 92.47
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 92.47
Polar Surface Area: 433 Å2
Polarizability: 117.4±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 817.2±5.0 cm3

Click to predict properties on the Chemicalize site


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