| Phytochemical Name : Isoterchebin |
| PCNDIDI0129 |
| Pubchem CID : 442685 |
| Molecular formula: C41H30O27 |
| Canonical SMILES : C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O1)O)O |
Synonymes : Isoterchebin|Trapain|C10232|CHEBI:6065|DTXSID501099158|Q27107017|[(1S,8R,10S,11R,12S,13R,22S)-1,18,19,23,23-pentahydroxy-2,5,15-trioxo-10,11-bis[(3,4,5-trihydroxybenzoyl)oxy]-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraen-12-yl] 3,4,5-trihydroxybenzoate|beta-D-Glucopyranose, cyclic 4-->7:6-->5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.240 |
| Log Po/w (XLOGP3) : -0.290 |
| Log Po/w (WLOGP) : -1.080 |
| Log Po/w (MLOGP) : -3.450 |
| Log Po/w (SILICOS-IT) : -2.920 |
| Consensus Log Po/w : -1.300 |