Orsellinic acid 2-O-beta-D-glucoside
PubChem CID: 157010014
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| Compound Synonyms | Orsellinic acid 2-O-beta-D-glucoside |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | AQLSLUZPCXWYQZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Orsellinic acid 2-O-beta-D-glucoside |
| Description | Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 330.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 330.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H18O9/c1-5-2-6(16)3-7(9(5)13(20)21)22-14-12(19)11(18)10(17)8(4-15)23-14/h2-3,8,10-12,14-19H,4H2,1H3,(H,20,21) |
| Smiles | CC1=CC(=CC(=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O |
| Xlogp | -0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H18O9 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all