aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00961 | 3.11 | 270.28 | C16H14O4 | O=C(O)CCC(=O)c1ccc(-c2ccccc2O)cc1 |
|
AD00962 | 2.98 | 184.24 | C13H12O | Oc1ccc(Cc2ccccc2)cc1 |
|
AD00963 | 11.21 | 742.98 | C36H72O9P2S | CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC |
|
AD00964 | -0.62 | 2265.9 | C112H138O29N21Cl | CCCCc1ccc(C(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)cc1 |
|
AD00965 | 3.48 | 824.98 | C39H67O11N4F3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2cc(C)oc2C(F)(F)F)C(C)C(O)C1(C)O |
|
AD00966 | 3.99 | 310.19 | C14H7N4Cl2S | Clc1ccc(SCc2ncnc3c2N=C[N]3)c(Cl)c1 |
|
AD00967 | 4.48 | 392.58 | C24H40O4 | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C |
|
AD00968 | 2.89 | 229.24 | C13H11O3N | O=[N+]([O-])c1cccc(Cc2ccc(O)cc2)c1 |
|
AD00969 | -0.79 | 127.1 | C4H5O2N3 | NC(=O)c1[nH]ncc1O |
|
AD00970 | -2.59 | 289.29 | C11H19O6N3 | COC(=O)CCC(NC(=O)C(C)NC(=O)CO)C(N)=O |