Apigenin 5-O-beta-D-glucopyranoside
PubChem CID: 14730805
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| Compound Synonyms | Salipurpin, Apigenin 5-O-beta-D-glucopyranoside, Apigenin 5-O-beta-D-glucoside, Apigenin 5-glucoside, Apigenin 5-beta-D-glucopyranoside, DBA75727 |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Description | Apigenin 5-glucoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Apigenin 5-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 5-glucoside can be found in cumin, which makes apigenin 5-glucoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 675.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | -0.6 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C21H20O10 |
| Inchi Key | ZFPMFULXUJZHFG-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4',5,7-Trihydroxyflavone, 5-O-b-D-Glucopyranoside, Apigenin 5-glucoside |
| Compound Name | Apigenin 5-O-beta-D-glucopyranoside, Apigenin 5-O-beta-D-glucoside, Apigenin 5-glucoside, Apigenin 5-beta-D-glucopyranoside |
| Kingdom | Organic compounds |
| Exact Mass | 432.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 432.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 432.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 |
| Smiles | C1=CC(=CC=C1C2=CC(=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 Cuminum Cyminum (Plant) Rel Props:Source_db:fooddb_chem_all