ChemSpider 2D Image | (3S,3'R,4S,5R,5'R,10S,13S,14S,17S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)t
etrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6,
7,10,11,12,13,14-tetradecahydro-3'H-spiro[cy | C51H80O23

(3S,3'R,4S,5R,5'R,10S,13S,14S,17S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6, 7,10,11,12,13,14-tetradecahydro-3'H-spiro[cy

  • Molecular FormulaC51H80O23
  • Average mass1061.167 Da
  • Monoisotopic mass1060.509033 Da
  • ChemSpider ID9357416
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

(3S,3'R,4S,5R,5'R,10S,13S,14S,17S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6, 7,10,11,12,13,14-tetradecahydro-3'H-spiro[cy [ACD/IUPAC Name]
(23R)-3β-[(O-β-D-apiofuranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->6)-β-D-glucopyranosyl)oxy]-17α,23-epoxy-29-hydroxy-27-norlanost-8-ene-15,24-dione

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: 253.2±0.4 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.55
ACD/KOC (pH 5.5): 161.60
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 161.60
Polar Surface Area: 360 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 706.3±5.0 cm3

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