Apigenin 7-glucuronosyl-glucoside
PubChem CID: 157009918
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| Compound Synonyms | Apigenin 7-glucuronosyl-glucoside |
|---|---|
| Topological Polar Surface Area | 262.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | ADUXEKGZLYFWEG-VQFZQRBBSA-N |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 43.0 |
| Compound Name | Apigenin 7-glucuronosyl-glucoside |
| Description | Apigenin 7-glucuronosyl-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Apigenin 7-glucuronosyl-glucoside can be found in cumin, which makes apigenin 7-glucuronosyl-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 608.138 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 608.138 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 608.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H28O16/c28-10-3-1-9(2-4-10)14-7-13(30)17-12(29)5-11(6-15(17)41-14)40-27-23(36)19(32)18(31)16(42-27)8-39-26-22(35)20(33)21(34)24(43-26)25(37)38/h1-7,16,18-24,26-29,31-36H,8H2,(H,37,38)/t16-,18-,19+,20+,21+,22-,23-,24+,26-,27-/m1/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)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O)O)O |
| Xlogp | -1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H28O16 |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Source_db:fooddb_chem_all