aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00451 | -0.42 | 123.11 | C5H5ON3 | NC(=O)c1ncccn1 |
|
AD00452 | 5.1 | 472.71 | C30H48O4 | CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD00453 | 1.01 | 392.4 | C20H24O8 | COc1cc(C2Oc3c(OC)cc(C(O)C(O)CO)cc3C2CO)ccc1O |
|
AD00454 | 6.34 | 507.95 | C21H42O8P2Cl | CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)([O-])OP(=O)(O)OC |
|
AD00455 | -0.68 | 163.16 | C7H7ON4 | NCC1=C[N]c2nc[nH]c(=O)c21 |
|
AD00456 | -1.14 | 1187.33 | C58H90O25 | CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4 |
|
AD00457 | 2.79 | 276.68 | C13H8N5FCl | Fc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD00458 | 8.44 | 754.89 | C47H42O4N6 | CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1 |
|
AD00459 | 1.08 | 275.34 | C13H19ON6 | CC(=O)N(C)CCCCN(C)c1ncnc2c1N=C[N]2 |
|
AD00460 | 1.75 | 344.32 | C18H16O7 | COc1cc(O)c2c(=O)cc(C3(OC(C)=O)C=CC(O)C=C3)oc2c1 |