Hesperetin 5-O-glucoside
PubChem CID: 18625123
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| Compound Synonyms | Hesperetin 5-O-glucoside, Hesperetin 5-glucoside, SCHEMBL3366475, Hesperetin 5-O-beta-D-glucoside, CHEBI:166612, (2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one, LMPK12140377, 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 175.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 33.0 |
| Description | Isolated from peach (Persica vulgaris) stem bark. Hesperetin 5-glucoside is found in fruits and peach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | 0.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C22H24O11 |
| Inchi Key | QSLBWGKNSBMTJL-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Hesperetin 5-glucoside, Hesperetin 5-O-beta-D-glucoside, Hesperetin 5-O-glucoside |
| Substituent Name | Flavonoid o-glycoside, Flavonoid-5-o-glycoside, Methoxyflavonoid skeleton, 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavanone, 7-hydroxyflavonoid, 3'-hydroxyflavonoid, Flavan, O-glycosyl compound, Glycosyl compound, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Secondary alcohol, Polyol, Ketone, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Hesperetin 5-O-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 464.132 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 464.132 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 464.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all