| Phytochemical Name : Gossypin |
| PCNDIDG0139 |
| Pubchem CID : 5281621 |
| Molecular formula: C21H20O13 |
| Canonical SMILES : C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
Synonymes : Gossypin|652-78-8|Gossypetin-8-glucoside|NSC 656276|BRN 0071526|Gossypetin 8-O-glucoside|UNII-A3Q367XWX9|A3Q367XWX9|CHEBI:5525|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside|Gossypetin 8-glucoside|2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-|4-18-00-03589 (Beilstein Handbook Reference)|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(.beta.-D-glucopyranosyloxy)-3,5,7-trihydroxy-|Gossypin (4)|MFCD00017429|ST057186|CHEMBL402915|SCHEMBL1156121|Gossypin, >=90% (HPLC)|DTXSID60215512|BDBM153264|AKOS024282592|LS-39608|MS-28931|HY-125911|CS-0102990|C10051|3,3',4',5,7,8-Hexahydroxyflavone-8-glucoside|A1-00786|BRD-K05485208-001-01-1|Q27106791|3,3',4',5,7,8-HEXAHYDROXYFLAVONE 8-GLUCOSIDE|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranoside|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.020 |
| Log Po/w (XLOGP3) : 0.010 |
| Log Po/w (WLOGP) : -0.830 |
| Log Po/w (MLOGP) : -3.070 |
| Log Po/w (SILICOS-IT) : -1.060 |
| Consensus Log Po/w : -0.790 |