| Phytochemical Name : Apterin |
| PCNDIDA0163 |
| Pubchem CID : 57459455 |
| Molecular formula: C20H24O10 |
| Canonical SMILES : CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Apterin|53947-89-0|(8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one|DTXSID10726668|CHEBI:176055|AKOS032949126|XA163810|Q4782227|(8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrouro[2,3-h]chromen-2-one|2-[(8S,9R)-9-Hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl beta-D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.270 |
| Log Po/w (XLOGP3) : -0.790 |
| Log Po/w (WLOGP) : -1.140 |
| Log Po/w (MLOGP) : -1.330 |
| Log Po/w (SILICOS-IT) : -0.220 |
| Consensus Log Po/w : -0.440 |