4-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediol
(2S,3R,4S,5S,6R)-2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Compound NP-019140|alpha-Hydrojuglone 4-glucoside|I+/--Hydrojuglone 4-glucoside|Hydrojuglone beta-D-glucopyranoside|NCGC00385147-01|4-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediol|4,8-Dihydroxy-1-naphthyl beta-D-glucopyranoside|4,8-Dihydroxynaphthalen-1-yl beta-D-glucopyranoside|1,5-Dihydroxynaphthalene-4-yl beta-D-glucopyranoside|1,4,8-Trihydroxynaphthalene 1-O-.beta.-D.-glucopyranoside|(2S,3R,4S,5S,6R)-2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol|NCGC00385147-01_C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl|(2S,3R,4S,5S,6R)-2-[(4,8-dihydroxy-1-naphthyl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[(4,8-DIHYDROXYNAPHTHALEN-1-YL)OXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10016 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.10016 |
| Monoisotopic Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 39015-63-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | LASMTIIWUCJLEH-YMILTQATSA-N |
Product Overview
4-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediol (CAS 39015-63-9), with molecular formula C16H18O8 and molecular weight 338.10016 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol.