aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17401 | 4.3 | 348.32 | C18H15O2N2F3 | Oc1n[nH]c(C(F)(F)F)c1Cc1cccc(OCc2ccccc2)c1 |
|
AD17402 | -3.95 | 353.33 | C7H15O11NS2 | O=S(=O)(O)NC1C(CO)OC(COS(=O)(=O)O)C(O)C1O |
|
AD17403 | 5.82 | 458.68 | C29H46O4 | CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(CO)CCC3(C(=O)O)CCC21C |
|
AD17404 | 2.87 | 246.34 | C13H20N5 | CCCCCCCCc1nc(N)c2c(n1)[N]C=N2 |
|
AD17405 | 1.74 | 146.15 | C8H6ON2 | c1coc(-c2cnccn2)c1 |
|
AD17406 | 8.67 | 502.29 | C24H26N2Br2 | CCCCCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 |
|
AD17407 | 4.31 | 490.68 | C29H46O6 | CC(=O)OC1CC2C(CCC3(C)C2CC2OC4(CCC(C)CO4)C(C)C23)C2(C)CC(O)C(O)CC12 |
|
AD17408 | 5.95 | 1343.63 | C69H62O16N9Cl3 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCc4ccc(-c5ccc(Cl)cc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD17409 | 2.7 | 1419.76 | C67H94O16N12S3 | COS(=O)(=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)C(CCSC)NC=O)C(C)OC(C)(C)C)C(C)C |
|
AD17410 | 2.38 | 346.45 | C18H22O3N2S | CC(C)(SCc1ccc2ccccc2c1)C(N)C(=O)NCC(=O)O |