Apigenin 6-C-arabinosyl-8-C-glucoside
PubChem CID: 157009929
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Apigenin 6-C-arabinosyl-8-C-glucoside |
|---|---|
| Topological Polar Surface Area | 306.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | UNUHPRIQUMNECB-AJWCUTEPSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | APIGENIN-4,6-ARABINOSYL-8-C-GLUCOSIDE |
| Heavy Atom Count | 49.0 |
| Compound Name | Apigenin 6-C-arabinosyl-8-C-glucoside |
| Description | Apigenin 6-c-arabinosyl-8-c-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-arabinosyl-8-c-glucoside can be found in fig, which makes apigenin 6-c-arabinosyl-8-c-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 696.19 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 696.19 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1180.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 696.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | 6-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dihydroxy-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H36O18/c32-6-13-19(36)24(41)26(43)30(48-13)18-23(40)17(29-25(42)20(37)14(7-33)47-29)22(39)16-11(35)5-12(46-28(16)18)9-1-3-10(4-2-9)45-31-27(44)21(38)15(8-34)49-31/h1-5,13-15,19-21,24-27,29-34,36-44H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26-,27+,29?,30?,31-/m1/s1 |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5[C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@H]([C@@H]([C@H](O6)CO)O)O |
| Xlogp | -2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H36O18 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all