1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane
PubChem CID: 157010032
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| Compound Synonyms | 1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | VFLYULAVOFVIAM-RRDRPCBCSA-N |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 32.0 |
| Compound Name | 1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane |
| Description | 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane can be found in ginger, which makes 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane a potential biomarker for the consumption of this food product. |
| Exact Mass | 454.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.293 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 454.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[4-(3,5-dimethyldecyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H42O7/c1-5-6-7-8-16(2)13-17(3)9-10-18-11-12-19(20(14-18)30-4)31-25-24(29)23(28)22(27)21(15-26)32-25/h11-12,14,16-17,21-29H,5-10,13,15H2,1-4H3/t16?,17?,21-,22-,23+,24-,25-/m1/s1 |
| Smiles | CCCCCC(C)CC(C)CCC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| Xlogp | 4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H42O7 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all