Apigenin 7-apiosyl-glucoside
PubChem CID: 101926832
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| Compound Synonyms | Apigenin 7-apiosyl-glucoside |
|---|---|
| Topological Polar Surface Area | 225.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 40.0 |
| Description | Apigenin 7-apiosyl-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Apigenin 7-apiosyl-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-apiosyl-glucoside can be found in german camomile, parsley, roman camomile, and wild celery, which makes apigenin 7-apiosyl-glucoside a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 923.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Xlogp | -0.9 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C26H28O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMWBSQBBFSNJKL-WJIQGHJMSA-N |
| Fcsp3 | 0.4230769230769231 |
| Logs | -3.765 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.113 |
| Compound Name | Apigenin 7-apiosyl-glucoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 564.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.148 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 564.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.102875200000003 |
| Inchi | InChI=1S/C26H28O14/c27-9-26(35)10-37-25(23(26)34)36-8-18-20(31)21(32)22(33)24(40-18)38-13-5-14(29)19-15(30)7-16(39-17(19)6-13)11-1-3-12(28)4-2-11/h1-7,18,20-25,27-29,31-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25-,26-/m1/s1 |
| Smiles | C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-7-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Jasminum Cuspidatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Plagiomnium Cuspidatum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Polygonum Affine (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Polygonum Alatum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Polygonum Aviculare (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Polygonum Barbatum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Polygonum Capitatum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Polygonum Chinense (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Polygonum Cymosum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Polygonum Dichrotomum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Polygonum Flaccidum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Polygonum Hydropiper (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Polygonum Lapathifolium (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Polygonum Minus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Polygonum Mite (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Polygonum Molle (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Polygonum Nepalense (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Polygonum Orientale (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Polygonum Paronychioides (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Polygonum Perfoliatum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Polygonum Plebeium (Plant) Rel Props:Reference: - 26. Outgoing r'ship
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FOUND_INto/from Polygonum Polystachyum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Polygonum Punctatum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Polygonum Recumbens (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Polygonum Rulatum (Plant) Rel Props:Reference: - 31. Outgoing r'ship
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FOUND_INto/from Polygonum Virginiana (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference: