Daphnetin glucoside
PubChem CID: 73981557
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| Compound Synonyms | Daphnetin glucoside |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | MMPBHSBVPREJQC-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 7,8-Dihydroxy-2H-1-benzopyran-2-one, 8-O-b-D-Glucopyranoside, Daphnetin glucoside |
| Heavy Atom Count | 24.0 |
| Compound Name | Daphnetin glucoside |
| Description | Daphnetin glucoside is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Daphnetin glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Daphnetin glucoside can be found in coriander, which makes daphnetin glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 340.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 340.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H16O9/c16-5-8-10(19)11(20)12(21)15(22-8)24-14-7(17)3-1-6-2-4-9(18)23-13(6)14/h1-4,8,10-12,15-17,19-21H,5H2 |
| Smiles | C1=CC(=C(C2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
| Xlogp | -0.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H16O9 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all