Luteolin 7-glucuronylglucoside
PubChem CID: 157009919
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| Compound Synonyms | Luteolin 7-glucuronylglucoside |
|---|---|
| Topological Polar Surface Area | 273.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | YRCCCZBYQQKXBG-NOCQWBJNSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | Luteolin 7-glucuronosyl-glucoside, Luteolin 7-glucuronylglucoside |
| Heavy Atom Count | 43.0 |
| Compound Name | Luteolin 7-glucuronylglucoside |
| Description | Luteolin 7-glucuronylglucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-glucuronylglucoside can be found in cumin, which makes luteolin 7-glucuronylglucoside 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 | 1050.0 |
| 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 | 9.0 |
| Iupac Name | (2S,3S,4S,5R,6R)-6-[[(2S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H28O16/c28-10-2-1-8(3-11(10)29)15-5-12(30)17-16(42-15)6-13(31)18(20(17)34)24-19(33)14(32)4-9(41-24)7-40-27-23(37)21(35)22(36)25(43-27)26(38)39/h1-3,5-6,9,14,19,21-25,27-29,31-37H,4,7H2,(H,38,39)/t9-,14-,19+,21-,22-,23+,24-,25-,27+/m0/s1 |
| Smiles | C1[C@H](O[C@H]([C@@H]([C@H]1O)O)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| Xlogp | -1.1 |
| 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