aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04481 | -1.63 | 539.44 | C15H31O12N3P2S | CNC(=O)C[S+]([O-])CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD04482 | 2.47 | 468.68 | C27H48O6 | CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O |
|
AD04483 | 1.21 | 392.45 | C20H28O6N2 | CCCCCCc1ccc(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)cc1 |
|
AD04484 | -0.75 | 2724.41 | C134H223O32N27 | CCCCCCCCCCCCCCC(NC(=O)C(CCCCCCCCCCCCCC)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(C)=O)C(C)C)C(C)CC)C(C)O)C(C)O)C(N)=O |
|
AD04485 | 6.07 | 442.68 | C29H46O3 | CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD04486 | 3.74 | 328.36 | C19H14ON5 | C1=Nc2c(ncnc2NCC2c3ccccc3Oc3ccccc32)[N]1 |
|
AD04487 | 2.58 | 353.41 | C18H21O2N6 | CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD04488 | 7.09 | 483.78 | C32H53O2N | CC1CCC2(C(=O)N(C)C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C |
|
AD04489 | 1.08 | 243.28 | C12H19O5 | CCCCCCCC(=O)OCC(O)=CC(=O)[O-] |
|
AD04490 | -0.29 | 135.13 | C5H5N5 | Nc1ccnn2cnnc12 |