6,7,8,11,12,13,21,22,23-Nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-3,16-dione
PubChem CID: 14284670
Connections displayed (default: 10).
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| Topological Polar Surface Area | 244.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | ZPGCONCPIPNNOE-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3,6-Hexahydroxydiphenoylglucopyranose, 3,6-Hexahydroxydiphenoylglucose, 3,6-Hexahydroxydiphenoylglucose, (R)axial-D-pyranose-form |
| Heavy Atom Count | 34.0 |
| Compound Name | 6,7,8,11,12,13,21,22,23-Nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-3,16-dione |
| Description | 3,6-hexahydroxydiphenoylglucose is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 3,6-hexahydroxydiphenoylglucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,6-hexahydroxydiphenoylglucose can be found in pomegranate, which makes 3,6-hexahydroxydiphenoylglucose a potential biomarker for the consumption of this food product. |
| Exact Mass | 482.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 482.07 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 778.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 482.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-3,16-dione |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18O14/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(30)34-17-13(25)8(3-32-18(4)29)33-20(31)16(17)28/h1-2,8,13,16-17,20-28,31H,3H2 |
| Smiles | C1C2C(C(C(C(O2)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O1)O)O)O)O)O)O)O |
| Xlogp | -1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H18O14 |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all