ChemSpider 2D Image | luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid | C33H34O24

luteolin 7-O-[(β-D-glucosyluronic acid)-(1->2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid

  • Molecular FormulaC33H34O24
  • Average mass814.609 Da
  • Monoisotopic mass814.143982 Da
  • ChemSpider ID4444324

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-[4-(β-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-[4-(β-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-2-[4-(β-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy- [ACD/Index Name]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de 2-[4-(β-D-glucopyranuronosyloxy)-3-hydroxyphényl]-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
luteolin 7-O-[(β-D-glucosyluronic acid)-(1->2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[4-(β-D-glucopyranosyloxyuronic acid)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl (β-D-glucopyranosyluronic acid)-(1->2)-(β-D-glucopyranosiduronic acid)
Luteolin [Wiki]
Luteolin 7-O-[β-D-glucuronosyl-(1->2)-β-D-glucuronide]-4'-O-β-D-glucuronide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04900 [DBID]
  • Miscellaneous

    • Chemical Class:

      A luteolin glucosiduronic acid that consists of luteolin substituted by a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyluronic acid-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</s tereo>-glucopyranosiduronic acid group at position 7 and a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyluronic acid group at position 4' via glycosidic linkages. ChEBI CHEBI:37645
      A luteolin glucosiduronic acid that consists of luteolin substituted by a beta-D-glucopyranosyluronic acid-(1->2)-beta-D-glucopyranosiduronic acid group at position 7 and a beta-D-glucopyranosyluronic acid group at position 4' via glycosidic linkages. ChEBI CHEBI:37645
      A luteolin glucosiduronic acid that consists of luteolin substituted by a beta-D-glucopyranosyluronic acid-(1right2)-beta-D-glucopyranosiduronic acid group at position 7 and a beta-D-glucopyranosyluro nic acid group at position 4' via glycosidic linkages. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37645

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1273.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.6±3.0 kJ/mol
Flash Point: 397.1±27.8 °C
Index of Refraction: 1.788
Molar Refractivity: 172.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -9.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 396 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 150.9±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

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