ChemSpider 2D Image | 3',4',5,7-tetrahydroxy-3-methoxyflavone-7-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside | C28H32O16

3',4',5,7-tetrahydroxy-3-methoxyflavone-7-O-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID4592797

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

125206-11-3 [RN]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3',4',5,7-tetrahydroxy-3-methoxyflavone-7-O-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-3-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447014/
missing

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

AIDS165364 [DBID]
AIDS-165364 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is 3',4',5,7-tetrahydroxy-3-methoxyflavone attached to (6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-mannopyranosyl)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyrano syl residue at position 7 via a glycosidic linkage. It is isolated from the whole plant of <ital>Lepisorus contortus</ital>. ChEBI CHEBI:68349
      A glycosyloxyflavone that is 3',4',5,7-tetrahydroxy-3-methoxyflavone attached to (6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyrano; syl residue at position 7 via a glycosidic linkage. It is isolated from the whole plant of Lepisorus contortus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68349
      A glycosyloxyflavone that is 3',4',5,7-tetrahydroxy-3-methoxyflavone attached to (6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is isolated f rom the whole plant of Lepisorus contortus. ChEBI CHEBI:68349

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

Density: 1.7±0.1 g/cm3
Boiling Point: 973.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 319.7±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 358.9±5.0 cm3

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