ChemSpider 2D Image | calabricoside A | C32H38O20

calabricoside A

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID9051656

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
calabricoside A
β-D-Glucopyranoside de 3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447515/
missing
quercetin-3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranoside]-7-O-β-D-glucopyranoside
quercetin-3-O-[α-L-rhamnopyranosyl-(1-->2)-α-L-arabinopyranoside]-7-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A quercetin <element>O</element>-glucoside in which a <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>L</stereo>-arabinopyranosyl and a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue is attached respectively via a glycosidic linkage at positions 3 and 7 of quercetin. It is isolated from the aerial parts of <ital>Pu toria calabrica</ital> and exhibits radical scavenging activity. ChEBI CHEBI:65550
      A quercetin O-glucoside in which a alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl and a beta-D-glucopyranosyl residue is attached respectively via a glycosidic linkage at positions 3 and 7 of quercetin. It is isolated from the aerial parts of Putoria calabrica and exhibits radical scavenging activity. ChEBI CHEBI:65550
      A quercetin O-glucoside in which a alpha-L-rhamnopyranosyl-(1right2)-alpha-L-arabinopyranosyl and ; a beta-D-glucopyranosyl residue is attached respectively via a glycosidic linkage at positions 3 and 7 of quercetin. It is isolated from the aerial parts of Pu; toria calabrica and exhibits radical scavenging activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65550

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1113.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.6±3.0 kJ/mol
Flash Point: 352.7±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 126.7±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

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