aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21101 | 3.98 | 372.51 | C23H32O4 | COC(=O)C(C)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C |
|
AD21102 | 9.48 | 593.98 | C37H71O4N | CCCCCCCCC=CCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCC |
|
AD21103 | 7.34 | 526.81 | C33H54O3N2 | CC1(C)CCC2(NC(N)=O)CCC3(C)C(=CCC4C5(C)CCC6OC(C)(C)OCC6(C)C5CCC43C)C2C1 |
|
AD21104 | 1.53 | 161.16 | C9H7O2N | NC(=O)c1cc2ccccc2o1 |
|
AD21105 | 3.41 | 595.77 | C32H53O9N | CCCC(=O)OC(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)NC(C)(C)C |
|
AD21106 | 3.03 | 290.71 | C14H10N5FCl | CC(Nc1nc(Cl)nc2c1C=N[N]2)c1ccc(F)cc1 |
|
AD21107 | 2.08 | 347.09 | C7H12O9NP3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccccc1 |
|
AD21108 | 3.35 | 307.16 | C15H10N5Cl2 | Clc1ccc(CCNc2ncnc3c2N=C[N]3)c(Cl)c1 |
|
AD21109 | 6.97 | 1475.48 | C72H97O23N7Cl2 | CCc1c(Cl)c(OCCOCCOCCOCCOCCOCCOCCOCCn2cc(CN3CCN(N=Cc4c5c(O)c6c(O)c(C)c7c(c6c4O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N5)O7)CC3)nn2)c(Cl)c(O)c1C(=O)O |
|
AD21110 | 3.84 | 876.54 | C45H70O9N7Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |