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hesperetin 7-O-glucoside

hesperetin 7-O-glucoside

CAS: 31712-49-9

Formula: C22H24O11

SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

IUPAC: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

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

Composition: C (56.90%), H (5.21%), O (37.89%)

Molar Mass: 464.423

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names eriodictiol-7-glucoside; hesperetin 7-O-glucoside; hesperetin 7-O-β-D-glucoside
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 464.131861593
Formal Charge 0
FSP3 0.41
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 6
InChIKey ADSYMQORONDIDD-ZJHVPRRPSA-N
Lipinski's Rule of Five
Molar Refractivity 109.9
Topological Polar Surface Area 175.37
Polarizability 43.58
Ring Count 4
Rotatable Bond Count 5

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