Hesperetin 7-glucoside

C22H24O11CAS 31712-49-9464.42 g/mol

Open in Covalent MOL file
OOOHOOOHOHOHHOOHO
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C22H24O11
Molar mass
464.42 g/mol
Exact mass
464.1319 Da
Melting point
206–207 °C
logP
-0.01Crippen estimate
Polar surface area
175.4 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
31712-49-9
SMILES
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
InChIKey
ADSYMQORONDIDD-ZJHVPRRPSA-N
InChI
InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
  • Flavanone, 3′,5,7-trihydroxy-4′-methoxy-, 7-β-D-glucopyranoside
  • Glucopyranoside, hesperetin-7, β-D-
  • (2S)-7-(β-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Hesperetin 7-O-glucoside
  • Hesperetin 7-O-β-D-glucopyranoside
  • Hesperitin-7-β-D-glucoside

Work with Hesperetin 7-glucoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Neohesperidin13241-33-382 % similar Hesperidin520-26-378 % similar Methylhesperidin11013-97-171 % similar Poncirin14941-08-370 % similar Didymin14259-47-367 % similar Eriocitrin13463-28-067 % similar Naringin10236-47-266 % similar Narirutin14259-46-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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