aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17471 | 3.49 | 221.34 | C14H23ON | CCCCCCCOc1ccc(CN)cc1 |
|
AD17472 | 4.7 | 354.53 | C21H38O4 | CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO |
|
AD17473 | 1.25 | 410.51 | C22H34O7 | COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34C |
|
AD17474 | 6.41 | 470.69 | C30H46O4 | CC1(C=O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD17475 | 3.5 | 250.3 | C16H14ON2 | Cc1cc(-c2ccc3ccnc(N)c3c2)ccc1O |
|
AD17476 | 5.85 | 273.53 | C16H35NS | CCCCCCCCN(S)CCCCCCCC |
|
AD17477 | -6.18 | 2079.14 | C79H142O32N25P3S | COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC(=O)NCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)CNC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)C(C)C |
|
AD17478 | 8.2 | 826.99 | C42H62O11N6 | CC(Nc1cc(ON=[N+]([O-])N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C |
|
AD17479 | 8.59 | 841.02 | C43H64O11N6 | CN(CCO)[N+]([O-])=NOc1cc(NCCCC(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD17480 | 2.38 | 296.35 | C16H12O2N2S | CNC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O |