Luteolin 7-glucoside-3'-glucuronide
PubChem CID: 44258136
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| Compound Synonyms | Luteolin 7-glucoside-3'-glucuronide, LMPK12110712, Luteolin 7-glucoside 3'-glucuronide |
|---|---|
| Topological Polar Surface Area | 283.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | XSWBHFPDOTXBBV-ZXJFBCABSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | Luteolin 7-glucoside 3'-glucuronide, Luteolin 7-glucoside-3'-glucuronide |
| Heavy Atom Count | 44.0 |
| Compound Name | Luteolin 7-glucoside-3'-glucuronide |
| Description | Luteolin 7-glucoside 3'-glucuronide is a member of the class of compounds known as flavonoid o-glucuronides. Flavonoid o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Thus, luteolin 7-glucoside 3'-glucuronide is considered to be a flavonoid lipid molecule. Luteolin 7-glucoside 3'-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Luteolin 7-glucoside 3'-glucuronide can be found in lemon balm, which makes luteolin 7-glucoside 3'-glucuronide a potential biomarker for the consumption of this food product. |
| Exact Mass | 624.133 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 624.133 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 624.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (3S,4S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-[5-hydroxy-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]oxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)26(43-16)40-9-4-11(30)17-12(31)6-13(41-15(17)5-9)8-1-2-10(29)14(3-8)42-27-23(37)20(34)21(35)24(44-27)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)/t16?,18-,19+,20+,21+,22?,23?,24?,26-,27-/m1/s1 |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O[C@H]5C([C@H]([C@@H](C(O5)C(=O)O)O)O)O)O |
| Xlogp | -1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H28O17 |
- 1. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all