aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00351 | 1.35 | 305.24 | C14H11O7N | O=C1c2c(cc3cc(O)c([N+](=O)[O-])c(O)c3c2O)CCC1O |
|
AD00352 | 3.92 | 1241.66 | C63H61O18N8Cl | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(C=Cc4ccc(OC)cc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD00353 | -1.98 | 1106.31 | C48H67O10N17S2 | 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)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD00354 | 2.4 | 445.52 | C25H27O3N5 | CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1cc[nH]c(=O)n1)Nc1ccccc14)C32 |
|
AD00355 | 3.26 | 269.43 | C16H31O2N | CCC1CCCCCCC(O)C(C)C(=O)NCCC1 |
|
AD00356 | 6.21 | 472.71 | C30H48O4 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD00357 | 5.26 | 692.93 | C39H64O10 | CC=CC1OC(OC)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C |
|
AD00358 | 1.73 | 272.26 | C13H11ON5F | Nc1nc(OCCc2ccc(F)cc2)nc2c1N=C[N]2 |
|
AD00359 | 7.12 | 440.67 | C29H44O3 | CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(O)C4(C)C)C(=CCC21C)O3 |
|
AD00360 | 0.85 | 567.6 | C27H33O7N7 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |