Apigenin 6-C-glucosyl-O-arabinoside
PubChem CID: 157009871
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| Compound Synonyms | Apigenin 6-C-glucosyl-O-arabinoside |
|---|---|
| Topological Polar Surface Area | 236.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | FIOWCFBQOIGQDV-NXGDVTQMSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 40.0 |
| Compound Name | Apigenin 6-C-glucosyl-O-arabinoside |
| Description | Apigenin 6-c-glucosyl-o-arabinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucosyl-o-arabinoside can be found in oat, which makes apigenin 6-c-glucosyl-o-arabinoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 564.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.148 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 923.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 564.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 6-[(3R,4R,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C26H28O14/c27-7-15-19(31)24(36)26(40-15)37-8-16-20(32)22(34)23(35)25(39-16)18-12(30)6-14-17(21(18)33)11(29)5-13(38-14)9-1-3-10(28)4-2-9/h1-6,15-16,19-20,22-28,30-36H,7-8H2/t15-,16-,19-,20-,22+,23-,24+,25?,26-/m1/s1 |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O |
| Xlogp | -1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C26H28O14 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all