ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta,5xi,9xi)-3-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C59H96O26

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID84487535

  • defined stereocentres - 30 of 32 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ)-3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aS,6bR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
329279-91-6 [RN]
Begoniifolide A

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: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.27
ACD/KOC (pH 5.5): 360.89
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.27
ACD/KOC (pH 7.4): 360.89
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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