Found 63 results

Search term: MF = 'C_{33}H_{40}O_{22}'
ChemSpider 2D Image | 3,6-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C33H40O22

3,6-Bis(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC33H40O22
  • Average mass788.657 Da
  • Monoisotopic mass788.201111 Da
  • ChemSpider ID58802282

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

3,6-Bis(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3,6-Bis(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,6,7-tris(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3,6-bis(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
145134-62-9 [RN]
5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
6-Hydroxykaempferol 3,6,7-triglucoside
6-hydroxykaempferol-3,6,7-triglucoside

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 1181.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 183.2±3.0 kJ/mol
    Flash Point: 369.2±27.8 °C
    Index of Refraction: 1.776
    Molar Refractivity: 173.4±0.4 cm3
    #H bond acceptors: 22
    #H bond donors: 14
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: -3.58
    ACD/LogD (pH 5.5): -4.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 365 Å2
    Polarizability: 68.8±0.5 10-24cm3
    Surface Tension: 140.1±5.0 dyne/cm
    Molar Volume: 414.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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