Corymboside
PubChem CID: 13644660
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| Compound Synonyms | Corymboside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one, 73543-87-0, 6-Arabinosyl-8-galactosylapigenin, APIGENIN-6-ARABINOSIDE-8-GLUCOSIDE, 6-Arabinopyranosyl-8-galactopyranosylapigenin, Compound NP-000062, 6-Arabinopyranosyl-8-galactopyranosyl-4',5,7-trihydroxyflavone, MEGxp0_000035, ACon1_001128, CHEBI:182926, 6-a-L-Arabinopyranosyl-8-b-D-galactopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, KBA92738, YCA54387, AKOS040740189, NCGC00169650-01, NS00097543, BRD-A77705379-001-01-0 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 247.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | OVMFOVNOXASTPA-UHFFFAOYSA-N |
| Fcsp3 | 0.4230769230769231 |
| Rotatable Bond Count | 4.0 |
| Synonyms | 6-a-L-Arabinopyranosyl-8-b-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 6-Arabinopyranosyl-8-glucopyranosyl-4',5,7-trihydroxyflavone, 6-Arabinosylvitexin, 6-a-L-Arabinopyranosyl-8-b-D-galactopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 6-Arabinopyranosyl-8-galactopyranosyl-4',5,7-trihydroxyflavone, 6-Arabinopyranosyl-8-galactopyranosylapigenin, 6-Arabinosyl-8-galactosylapigenin, 8-b-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-b-D-xylopyranosyl-4H-1-benzopyran-4-one, 9CI, 8-Glucopyranosyl-6-xylopyranosylapigenin, 8-Glucosyl-6-xylosylapigenin |
| Heavy Atom Count | 40.0 |
| Compound Name | Corymboside |
| Description | Corymboside, also known as 6-arabinopyranosyl-8-galactopyranosylapigenin, is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Corymboside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Corymboside can be found in a number of food items such as red bell pepper, carob, common wheat, and orange bell pepper, which makes corymboside a potential biomarker for the consumption of these food products. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 564.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.148 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 938.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 564.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -1.494475200000002 |
| Inchi | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2 |
| Smiles | C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O |
| Xlogp | -2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C26H28O14 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Annum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ceratonia Siliqua (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Tragopogon Porrifolius (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all