ChemSpider 2D Image | [(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-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | C53H86O21

[(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-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,10S,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

  • Molecular FormulaC53H86O21
  • Average mass1059.237 Da
  • Monoisotopic mass1058.566162 Da
  • ChemSpider ID8805302
  • defined stereocentres - 25 of 27 defined stereocentres


More details:






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

6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,18ξ)-28-oxo-3-(α-D-xylopyranosyloxy)olean-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,18ξ)-28-oxo-3-(α-D-xylopyranosyloxy)oléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 260.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.12
ACD/KOC (pH 5.5): 2489.49
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.12
ACD/KOC (pH 7.4): 2489.47
Polar Surface Area: 334 Å2
Polarizability: 103.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 737.7±5.0 cm3

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