alpha-Hydrojuglone 4-O-b-D-glucoside
PubChem CID: 78190001
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| Compound Synonyms | alpha-Hydrojuglone 4-O-b-D-glucoside, 4-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediol, alpha-Hydrojuglone-4-glucoside, CHEBI:168164, 2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 24.0 |
| Description | Isolated from Juglans subspecies alpha-Hydrojuglone 4-O-b-D-glucoside is found in black walnut, 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-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -0.4 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C16H18O8 |
| Inchi Key | LASMTIIWUCJLEH-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 1,4,5-Naphthalenetriol 4-O-b-D-glucopyranoside, 1,4,5-Naphthalenetriol 4-O-b-D-glucoside, 1,4,5-Trihydroxynaphthalene 4-O-b-D-glucopyranoside, 1,4,5-Trihydroxynaphthalene 4-O-b-D-glucoside, alpha-Hydrojuglone 4-O-b-D-glucopyranoside, alpha-Hydrojuglone 4-O-b-D-glucoside, alpha-Hydrojuglone-4-glucoside, a-Hydrojuglone 4-O-b-D-glucoside, Α-hydrojuglone 4-O-b-D-glucoside |
| Compound Name | alpha-Hydrojuglone 4-O-b-D-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 338.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-5,11,13-22H,6H2 |
| Smiles | C1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all