aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04581 | 13.39 | 678.18 | C44H87O3N | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1C(CO)C(O)C1CCCCCCCCCCCCCC |
|
AD04582 | 3.35 | 684.77 | C35H36O7N6S | CCC1(OC(=O)CNC(=O)C(CCCCN)N=C(S)Nc2ccc(O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD04583 | 1.67 | 248.11 | C5H14O7P2 | COP(=O)(O)OP(=O)(O)OC(C)(C)C |
|
AD04584 | 4.69 | 430.63 | C27H42O4 | CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2 |
|
AD04585 | 2.94 | 412.35 | C21H16O9 | CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(O)cc3)oc2c1 |
|
AD04586 | 0.81 | 604.78 | C30H56O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)NC(C)C(O)C1(C)O |
|
AD04587 | 2.45 | 356.37 | C20H20O6 | CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2C=CC1(O)C(=O)O2 |
|
AD04588 | 3.64 | 274.76 | C14H9N3ClS | Clc1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD04589 | 2.79 | 276.68 | C13H8N5FCl | Fc1cc(Cl)ccc1CNc1ncnc2c1N=C[N]2 |
|
AD04590 | 3.41 | 337.59 | C13H8N5ClBr | Clc1nc2c(c(NCc3cccc(Br)c3)n1)N=C[N]2 |