| Phytochemical Name : (2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| PCNDIDOT0143 |
| Pubchem CID : 10343835 |
| Molecular formula: C21H24O11 |
| Canonical SMILES : C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O |
Synonymes : catechin-5-o-glucoside|DTXSID701031661|(?)-Epicatechin-5-O-beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.950 |
| Log Po/w (XLOGP3) : -1.440 |
| Log Po/w (WLOGP) : -1.310 |
| Log Po/w (MLOGP) : -1.830 |
| Log Po/w (SILICOS-IT) : -1.180 |
| Consensus Log Po/w : -0.960 |