aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08741 | 3.92 | 497.63 | C28H33ON8 | O=C(NCCN1CCCCC1)NCc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2 |
|
AD08742 | 2.65 | 258.69 | C13H9N5Cl | Clc1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD08743 | 5.37 | 415.66 | C27H45O2N | CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C |
|
AD08744 | 8.87 | 657.94 | C41H59O4N3 | CCOc1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1 |
|
AD08745 | 5.6 | 2394.88 | C119H152O17N34S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)CN(CCCCN(C)C(=O)CCCOc3cccc(-c4nc5cc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)ccc5[nH]4)c3)C(=O)C3CCCN3C(=O)C3CCCN3C(=O)CCCOc3cccc(-c4nc5ccc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)cc5[nH]4)c3)cs2)cs1)C(C)O)C(O)c1cnc[nH]1 |
|
AD08746 | 2.0 | 574.8 | C30H58O8N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)N(C)CC(C)CC1(C)O |
|
AD08747 | 2.02 | 172.27 | C9H20ON2 | CCCCCCCCNC(N)=O |
|
AD08748 | 1.44 | 129.2 | C7H15ON | CCCCCCC(N)=O |
|
AD08749 | 7.66 | 514.66 | C30H42O7 | CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 |
|
AD08750 | -2.36 | 542.58 | C22H42O13N2 | COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCO)(COCOCCO)COCOCCO |