ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside | C34H42O20

5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID8994282

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
kaempferide 3-<i>O</i>-&amp;β;-<i>D</i>-glucopyranosyl-(1->2)-<i&gt;O</i>-[&amp;α;-<i>L</i>-rhamnopyranosyl-(1->6)]-&;β;-<i>D</i>-glucopyranoside
kaempferide triglycoside
  • Miscellaneous

    • Compound Source:

      Dianthus caryophyllus PlantCyc CPD-14960
      kaempferide triglycoside biosynthesis PlantCyc CPD-14960
      Linum usitatissimum PlantCyc CPD-14960

    • Bio Activity:

      kaempferide 3-O-beta-D-glucopyranosyl -(1->2)-O-alpha-L-rhamnoside + UDP-alpha-D-glucose -> kaempferide triglycoside + UDP + H+ PlantCyc CPD-14960
      UDP-alpha-D-glucose + kaempferide 3-O-beta-D-glucopyranosyl -(1->2)-O-alpha-L-rhamnoside + UDP-alpha-D-glucose -> UDP + kaempferide triglycoside + UDP + H+ + H+ PlantCyc CPD-14960

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1070.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.4±3.0 kJ/mol
Flash Point: 334.5±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.44
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 445.8±5.0 cm3

Click to predict properties on the Chemicalize site


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