ChemSpider 2D Image | Tribuloside | C30H26O13

Tribuloside

  • Molecular FormulaC30H26O13
  • Average mass594.520 Da
  • Monoisotopic mass594.137329 Da
  • ChemSpider ID8350835

  • 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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2Z)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Tribuloside
163956-16-9 [RN]
22153-44-2 [RN]
cis-Tiliroside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL499705/
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 943.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 143.9±3.0 kJ/mol
    Flash Point: 311.9±27.8 °C
    Index of Refraction: 1.759
    Molar Refractivity: 144.8±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 3.83
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 23.52
    ACD/KOC (pH 5.5): 309.27
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.01
    Polar Surface Area: 213 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 106.7±5.0 dyne/cm
    Molar Volume: 352.4±5.0 cm3

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