ChemSpider 2D Image | robustaside E | C21H24O11

robustaside E

  • Molecular FormulaC21H24O11
  • Average mass452.409 Da
  • Monoisotopic mass452.131866 Da
  • ChemSpider ID26383560

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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1262142-66-4 [RN]
4-Hydroxyphenyl 6-O-[(2E)-3-(1,4-dihydroxy-6-oxo-2-cyclohexen-1-yl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxyphenyl-6-O-[(2E)-3-(1,4-dihydroxy-6-oxo-2-cyclohexen-1-yl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(1,4-Dihydroxy-6-oxo-2-cyclohexén-1-yl)-2-propenoyl]-β-D-glucopyranoside de 4-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxyphenyl, 6-[(2E)-3-(1,4-dihydroxy-6-oxo-2-cyclohexen-1-yl)-2-propenoate]
robustaside E
β-D-Glucopyranoside, 4-hydroxyphenyl 6-O-[(2E)-3-(1,4-dihydroxy-6-oxo-2-cyclohexen-1-yl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
4-hydroxyphenyl 6-O-[(2E)-3-(1,4-dihydroxy-6-oxocyclohex-2-en-1-yl)prop-2-enoyl]-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-glucoside having 4-hydroxyphenoxy residue as the anomeric substituent and a [(2<stereo>E</stereo>)-3-(1,4-dihydroxy-6-oxocyclohex-2-en-1-yl)prop-2-enoyl]oxy residue at position 6. Isolated from <ital>Grevillea</ital>, it exhibits antimalarial activity. ChEBI CHEBI:70143
      A beta-glucoside having 4-hydroxyphenoxy residue as the anomeric substituent and a [(2E)-3-(1,4-dihydroxy-6-oxocyclohex-2-en-1-yl)prop-2-enoyl]oxy residue at position; 6. Isolated from Grevillea, it exhibits antimalarial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70143

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 791.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 277.2±26.4 °C
Index of Refraction: 1.711
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 183 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

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