| Phytochemical Name : 3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester |
| PCNDIDOT0680 |
| Pubchem CID : 23872119 |
| Molecular formula: C22H24O10 |
| Canonical SMILES : C1=CC=C(C(=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : CHEMBL462995|MEGxp0_000687|26632-35-9|AKOS040735169|NCGC00380503-01|3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester|NCGC00380503-01_C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.710 |
| Log Po/w (XLOGP3) : 0.730 |
| Log Po/w (WLOGP) : -0.230 |
| Log Po/w (MLOGP) : -0.740 |
| Log Po/w (SILICOS-IT) : 0.370 |
| Consensus Log Po/w : 0.370 |