ChemSpider 2D Image | bidenlignaside A | C26H32O12

bidenlignaside A

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID17240763

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-Propanone, 3-[2-(β-D-glucopyranosyloxy)-5-[(1E)-3-hydroxy-1-propen-1-yl]-3-methoxyphenyl]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
bidenlignaside A
β-D-Glucopyranoside de 2-[1-hydroxy-3-(4-hydroxy-3-méthoxyphényl)-3-oxopropyl]-4-[(1E)-3-hydroxy-1-propén-1-yl]-6-méthoxyphényle [French] [ACD/IUPAC Name]
2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl β-D-glucopyranoside
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[5E-(3-hydroxypropenyl)-3-methoxy-2-O-(β-D-glucosyl)phenyl] propan-1-one
  • Miscellaneous

    • Chemical Class:

      A neolignan isolated from the whole plant of <ital>Bidens parviflora</ital> that has been found to inhibit histamine release from the peritoneal exudate mast cells induced by antigen-antibody reaction . ChEBI CHEBI:65494
      A neolignan isolated from the whole plant of Bidens parviflora that has been found to inhibit histamine release from the peritoneal exudate mast cells induced by antigen-antibody reaction. ChEBI CHEBI:65494
      A neolignan isolated from the whole plant of Bidens parviflora that has been found to inhibit histamine release from the peritoneal exudate mast cells induced by antigen-antibody reaction; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65494

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

Density: 1.5±0.1 g/cm3
Boiling Point: 871.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 290.8±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.25
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.97
Polar Surface Area: 196 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

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