| Phytochemical Name : Agarotetrol |
| PCNDIDA0035 |
| Pubchem CID : 13606036 |
| Molecular formula: C17H18O6 |
| Canonical SMILES : C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O |
Synonymes : Agarotetrol|69809-22-9|Agarotetrol (AHl)|(5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one|Agarotetrol(AHl)|CHEBI:189508|HY-N1468|s3263|AC-34099|MS-24698|CS-0016961|(5S,6R,7R,8S)-5,6,7,8-Tetrahydroxy-2-phenethyl-5,6,7,8-tetrahydro-4H-chromen-4-one|(5S)-5,6,7,8-Tetrahydro-5alpha,6beta,7beta,8alpha-tetrahydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one|(5s,6r,7r,8s)-5,6,7,8-tetrahydroxy 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4h-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.790 |
| Log Po/w (XLOGP3) : -0.790 |
| Log Po/w (WLOGP) : -0.420 |
| Log Po/w (MLOGP) : -0.680 |
| Log Po/w (SILICOS-IT) : 1.460 |
| Consensus Log Po/w : 0.270 |