Hydrojuglone glucoside
PubChem CID: 78012803
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| Compound Synonyms | Hydrojuglone glucoside, CHEBI:143871 |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of the leaves of Carya illinoensis (pecan). Hydrojuglone glucoside is found in common walnut and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Naphthalenes |
| Xlogp | -0.4 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Naphthols and derivatives |
| Molecular Formula | C16H18O8 |
| Inchi Key | PUKLOSMRXIAWPE-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | Hydrojuglone glucoside |
| Substituent Name | O-glycosyl compound, 1-naphthol, Glycosyl compound, Hydroquinone, Oxane, Monosaccharide, Saccharide, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Hydrojuglone glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 338.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 338.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 338.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-22H,6H2 |
| Smiles | C1=CC2=C(C=CC(=C2C(=C1)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all