ChemSpider 2D Image | (2S,3R,4S,5S,6R)-2-({1-Hydroxy-1-[10-(hydroxymethyl)-4,4,8,14-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-1H-cyclopenta[a]phenanthren- 17-yl]-5-methyl-4-hexen-1-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | C41H70O14

(2S,3R,4S,5S,6R)-2-({1-Hydroxy-1-[10-(hydroxymethyl)-4,4,8,14-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-1H-cyclopenta[a]phenanthren- 17-yl]-5-methyl-4-hexen-1-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID10142403

  • defined stereocentres - 10 of 19 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-({1-Hydroxy-1-[10-(hydroxymethyl)-4,4,8,14-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-1H-cyclopenta[a]phenanthren- 17-yl]-5-methyl-4-hexen-1-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-({1-Hydroxy-1-[10-(hydroxymethyl)-4,4,8,14-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-1H-cyclopenta[a]phenanthren- 17-yl]-5-methyl-4-hexen-1-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-({1-Hydroxy-1-[10-(hydroxyméthyl)-4,4,8,14-tétraméthyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}hexadécahydro-1H-cyclopenta[a]phénanthrén- 17-yl]-5-méthyl-4-hexén-1-yl}oxy)-6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 17-[1-(β-D-glucopyranosyloxy)-1-hydroxy-5-methyl-4-hexen-1-yl]-10-(hydroxymethyl)-4,4,8,14-tetramethylgonan-3-yl [ACD/Index Name]
Gypenoside XXXII

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

Density: 1.3±0.1 g/cm3
Boiling Point: 881.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.5±6.0 kJ/mol
Flash Point: 486.9±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 201.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.45
ACD/KOC (pH 5.5): 173.55
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.45
ACD/KOC (pH 7.4): 173.55
Polar Surface Area: 239 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 583.2±5.0 cm3

Click to predict properties on the Chemicalize site


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