ChemSpider 2D Image | robustaside D | C21H22O10

robustaside D

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID22913722

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

262352-32-9 [RN]
4-Hydroxyphenyl 6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxyphenyl-6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(1-Hydroxy-4-oxo-2,5-cyclohexadién-1-yl)-2-propenoyl]-β-D-glucopyranoside de 4-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxyphenyl, 6-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-2-propenoate]
robustaside D
β-D-Glucopyranoside, 4-hydroxyphenyl 6-O-[(2E)-3-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
4-hydroxyphenyl 6-O-[(2E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucoside in which the anomeric position is substituted by a 4-hydroxyphenoxy residue and at position 6 by [(2<stereo>E</stereo>)-3-(1-hydroxy-4-oxocyclohexa -2,5-dien-1-yl)prop-2-enoyl]oxy residue. Isolated from <ital>Grevillea</ital>, it exhibits antimalarial activity. ChEBI CHEBI:70146
      A beta-D-glucoside in which the anomeric position is substituted by a 4-hydroxyphenoxy residue and at position 6 by [(2E)-3-(1-hydroxy-4-oxocyclohexa; -2,5-dien-1-yl)prop-2-enoyl]oxy residue. Isolated from Grevillea, it exhibits antimalarial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70146
      A beta-D-glucoside in which the anomeric position is substituted by a 4-hydroxyphenoxy residue and at position 6 by [(2E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy residue. Isolated f rom Grevillea, it exhibits antimalarial activity. ChEBI CHEBI:70146

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 268.3±26.4 °C
Index of Refraction: 1.706
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.08
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.05
Polar Surface Area: 163 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 93.3±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

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