aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10401 | 1.26 | 258.3 | C13H16ON5 | CCCCCC(O)C#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD10402 | 2.64 | 413.24 | C17H13O2N6Br | O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1Cc1cn(O)nn1 |
|
AD10403 | 3.21 | 473.4 | C22H33O6Br | CC1C=CCC(O)C(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1 |
|
AD10404 | 6.93 | 472.75 | C31H52O3 | COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C |
|
AD10405 | 3.16 | 394.45 | C17H35O6N2P | CCC(CC)OC(=O)C(C)NP(=O)(NC(C)C(=O)OC(CC)CC)OC |
|
AD10406 | 3.03 | 1764.65 | C87H92O24N14Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(N)CCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD10407 | 2.77 | 242.27 | C15H14O3 | COC(=O)Cc1cccc(-c2ccccc2O)c1 |
|
AD10408 | 3.51 | 378.48 | C22H26O2N4 | COc1ccc(-c2cc(C(=O)NN)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 |
|
AD10409 | 0.11 | 110.12 | C5H6ON2 | NC(=O)c1cc[nH]c1 |
|
AD10410 | -5.42 | 612.73 | C22H40O10N6S2 | CC(=O)NC1C(NC(=S)NCCCCNC(=S)NC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O |