aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05391 | 0.67 | 148.14 | C7H6ON3 | COc1ccnc2c1C=N[N]2 |
|
AD05392 | 1.6 | 224.3 | C13H20O3 | CC(=O)C=CC1=C(C)C(O)C(O)CC1(C)C |
|
AD05393 | 3.27 | 296.73 | C14H9O4ClS | O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1cccs1 |
|
AD05394 | 4.28 | 324.43 | C17H18N5S | C1=Nc2c(nc(Sc3ccccc3)nc2NC2CCCCC2)[N]1 |
|
AD05395 | 0.37 | 520.53 | C26H32O11 | COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24 |
|
AD05396 | 2.38 | 553.52 | C27H27O10N3 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N=[N+]=[N-])C(O)C(C)O1 |
|
AD05397 | 1.37 | 270.24 | C15H10O5 | O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 |
|
AD05398 | 4.67 | 555.76 | C33H49O6N | CC1OC(OC2CCCC(C3CC3)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CCC1N(C)C |
|
AD05399 | 1.72 | 389.59 | C17H31O3N3S2 | O=C(CCCCC1SCC2NC(=O)NC21)NCCSCCCCCO |
|
AD05400 | -14.29 | 1151.06 | C42H70O34S | OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CS)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O |