Apigenin 7-di-O-xyloside
PubChem CID: 157009965
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| Compound Synonyms | Apigenin 7-di-O-xyloside |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | AYWNPQYSGVEBBX-DXIOFANKSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 40.0 |
| Compound Name | Apigenin 7-di-O-xyloside |
| Description | Apigenin 7-di-o-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-di-o-xyloside can be found in olive, which makes apigenin 7-di-o-xyloside a potential biomarker for the consumption of this food product. |
| Exact Mass | 566.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 566.127 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 924.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 566.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H26O15/c26-9-3-1-8(2-4-9)13-7-12(28)15-11(27)5-10(6-14(15)37-13)36-23-20(33)17(30)21(34)25(39-23)40-24-19(32)16(29)18(31)22(35)38-24/h1-7,16-27,29-35H/t16-,17+,18-,19+,20+,21-,22-,23+,24-,25+/m0/s1 |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)O)O)O)O)O)O)O)O)O |
| Xlogp | -2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H26O15 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all