aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13281 | 5.32 | 673.93 | C36H67O10N | CCCCCCCCCCCC(O)CC(=O)NC1C(CC(=O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC |
|
AD13282 | -0.4 | 1112.9 | C32H44O20N8P4S4 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2ccc3c(=O)nc(N)[nH]c32)OC1COP(O)(O)=S |
|
AD13283 | -1.67 | 924.71 | C23H36O19N4P4S4 | Cc1cn(C2CC(OP(O)(=S)OCC(O)COP(O)(=S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(O)(O)=S)C(COP(O)(O)=S)O2)c(=O)[nH]c1=O |
|
AD13284 | -0.82 | 111.1 | C4H5ON3 | N=c1cc[nH]c(=O)[nH]1 |
|
AD13285 | 1.2 | 1634.55 | C79H90O22N14Cl2 | 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(CCCCN)NC(=O)CNC(=O)C(N)Cc4ccc(O)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD13286 | 3.13 | 641.81 | C35H51O8N3 | CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1CO |
|
AD13287 | 1.33 | 165.24 | C10H15ON | CNC(C)C(O)c1ccccc1 |
|
AD13288 | 1.64 | 172.19 | C10H8ON2 | O=C(c1ccccc1)c1ncc[nH]1 |
|
AD13289 | 4.89 | 428.61 | C27H40O4 | C=C1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C |
|
AD13290 | 0.1 | 152.15 | C7H8O2N2 | CC=Cc1cc(=O)[nH]c(=O)[nH]1 |