ChemSpider 2D Image | (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-({(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(2R,5E)-6-methyl-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3 ,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-5-octen-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahyd ro-2H-pyran-3,4,5-triol | C53H90O22

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-({(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(2R,5E)-6-methyl-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3 ,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-5-octen-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahyd ro-2H-pyran-3,4,5-triol

  • Molecular FormulaC53H90O22
  • Average mass1079.269 Da
  • Monoisotopic mass1078.592407 Da
  • ChemSpider ID4944665

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 23 of 29 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-({(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(2R,5E)-6-methyl-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3 ,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-5-octen-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahyd ro-2H-pyran-3,4,5-triol [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-({(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(2R,5E)-6-methyl-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3 ,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-5-octen-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahyd ro-2H-pyran-3,4,5-triol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-2-({(10R,12S,14R)-12-hydroxy-4,4,10,14-tétraméthyl-17-[(2R,5E)-6-méthyl-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3 ,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-5-octén-2-yl]hexadécahydro-1H-cyclopenta[a]phénanthrén-3-yl}oxy)tétrahydro-2H-pyran-3-yl]oxy}-6-(hydroxyméthyl)tétrahyd ro-2H-pyrane-3,4,5-triol [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (1R,4E)-1-[(8ξ,9ξ,12α,13ξ,14β)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxy-4,4,10,14-tetramethylgonan-17-yl]-1,5-dimethyl-4-hepten-1-yl 6-O-bet ;a-D-xylopyranosyl- [ACD/Index Name]
68406-26-8 [RN]
Ginsenoside Rb3
α-D-Glucopyranoside, (3-β,12-β)-3-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1125.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.2±6.0 kJ/mol
Flash Point: 634.2±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 265.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.48
ACD/KOC (pH 5.5): 372.76
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.48
ACD/KOC (pH 7.4): 372.75
Polar Surface Area: 357 Å2
Polarizability: 105.3±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 755.0±5.0 cm3

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