| Phytochemical Name : Salvianic acid B |
| PCNDIDS0023 |
| Pubchem CID : 119177 |
| Molecular formula: C36H30O16 |
| Canonical SMILES : C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
Synonymes : Salvianolic acid B|Lithospermic acid B|121521-90-2|Salvianic acid B|115939-25-8|Danfensuan B|2-[3-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid|C36H30O16|C36-H30-O16|(2R-(2alpha,3beta(R*),4(E(R*))))-3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate|BCP12410|FT-0674512|115939-25-8;Lithospermic acid B; Danfensuan B; Salvianic acid B |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.460 |
| Log Po/w (XLOGP3) : 3.980 |
| Log Po/w (WLOGP) : 2.900 |
| Log Po/w (MLOGP) : 0.250 |
| Log Po/w (SILICOS-IT) : 2.570 |
| Consensus Log Po/w : 2.230 |