aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03261 | 2.46 | 1241.06 | C60H59O18N9Cl2 | CC=CCNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD03262 | 1.35 | 267.32 | C14H21O4N | COc1ccc(NC2(C)CC(O)OC(C)C2O)cc1 |
|
AD03263 | 0.47 | 241.25 | C12H11ON5 | Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2 |
|
AD03264 | -1.31 | 271.16 | C10H10O6NP | COP(=O)([O-])NC(C(=O)[O-])C(=O)c1ccccc1 |
|
AD03265 | 3.42 | 374.22 | C14H16O8P2 | COP(=O)(O)OC(c1cccc(Oc2ccccc2)c1)P(=O)(O)O |
|
AD03266 | 7.14 | 442.73 | C30H50O2 | CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD03267 | 4.89 | 488.71 | C30H48O5 | CC1CC(C(=O)O)C2CCC3(C)C(=CCC4(C)C3CCC3C(C)(CO)C(O)C(O)CC34C)C2C1C |
|
AD03268 | 4.74 | 1325.18 | C68H63O17N9Cl2 | CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)NCc2ccc(-c4ccc(Cl)cc4)cc2)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O |
|
AD03269 | 0.82 | 120.17 | C4H8O2S | CSC(C)C(=O)O |
|
AD03270 | -0.51 | 129.09 | C4H4ON3F | Nc1nc(=O)[nH]cc1F |