ChemSpider 2D Image | k-Strophantoside | C42H64O19

k-Strophantoside

  • Molecular FormulaC42H64O19
  • Average mass872.946 Da
  • Monoisotopic mass872.404175 Da
  • ChemSpider ID16736549

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3b,5b)-3-{[b-D-Glucopyranosyl-(1®6)-b-D-glucopyranosyl-(1-®4)-2,6-dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-10H-cyclopenta[a]phenanthren-10-carbaldehyd
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-4-méthoxy-6-méthyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}-13-méthyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadécahydro-10H-cyclopenta[a]phénanthrène-10-carbaldéhyde
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-ènolide
251-439-1 [EINECS]
More...

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

8141H9654J [DBID]
NSC 7530 [DBID]
UNII:8141H9654J [DBID]
UNII-8141H9654J [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 1027.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 170.0±6.0 kJ/mol
    Flash Point: 304.0±27.8 °C
    Index of Refraction: 1.631
    Molar Refractivity: 207.7±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 9
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: -1.60
    ACD/LogD (pH 5.5): -1.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.41
    ACD/LogD (pH 7.4): -1.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.41
    Polar Surface Area: 290 Å2
    Polarizability: 82.3±0.5 10-24cm3
    Surface Tension: 79.3±5.0 dyne/cm
    Molar Volume: 582.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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