aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20251 | -1.08 | 160.17 | C6H12O3N2 | CNC(=O)C(N)CCC(=O)O |
|
AD20252 | 3.58 | 820.99 | C40H67O10N4F3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2cccc(C(F)(F)F)c2)C(C)C(O)C1(C)O |
|
AD20253 | 3.24 | 224.26 | C14H12ON2 | COc1ccc(-c2nc3ccccc3[nH]2)cc1 |
|
AD20254 | 1.35 | 237.32 | C9H19O4NS | CCCCCCCC(=O)NS(=O)(=O)OC |
|
AD20255 | 3.21 | 334.44 | C13H26O4N4S | COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-] |
|
AD20256 | 3.69 | 321.48 | C15H31O4NS | CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC |
|
AD20257 | 1.71 | 238.27 | C13H12N5 | C1=N[N]c2ncnc(NCCc3ccccc3)c21 |
|
AD20258 | 2.22 | 288.26 | C15H12O6 | O=C1CC(c2cc(O)cc(O)c2)Oc2cc(O)cc(O)c21 |
|
AD20259 | 1.53 | 1714.64 | C83H94O22N16Cl2 | 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]cn4)NC(=O)C(N)CCCCN)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD20260 | 0.01 | 270.31 | C11H14O4N2S | NC(CSc1ccc(O)cc1)C(=O)NCC(=O)O |