ChemSpider 2D Image | 3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,9xi,14beta,16alpha)-3-(beta-D-glucopyranosyloxy )-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C57H92O28

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,9ξ,14β,16α)-3-(β-D-glucopyranosyloxy )-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID64919848

  • defined stereocentres - 30 of 31 defined stereocentres

More details:

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

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,9ξ,14β,16α)-3-(β-D-glucopyranosyloxy 
)-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,9ξ,14β,16α)-3-(β-D-glucopyranosylox 
y)-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,9ξ,14β,16α)-3-(β-D-glucopyranosylox 
y)-2,16,23,24-tétrahydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,9ξ,14β,16alph a)-3-(β-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
58479-68-8 [RN]
Platycodin D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 288.4±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 453 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 781.7±5.0 cm3

Click to predict properties on the Chemicalize site


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