aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05061 | -1.51 | 200.19 | C9H12O5 | OCC1=CC(O)C2(O)C=COC(O)C12 |
|
AD05062 | -0.57 | 372.41 | C18H28O8 | CC1(O)CC(OC2CC3C(O)CC(C)(O)C3C(O)O2)C2C=COC(O)C21 |
|
AD05063 | 2.83 | 361.4 | C15H24O5NPS | COP(=O)(NCc1ccccc1)OCCSC(=O)C(C)(C)CO |
|
AD05064 | -2.13 | 2268.81 | C109H131O31N22Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2ccccc2[N+](=O)[O-])C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD05065 | 0.78 | 208.07 | CH6O6P2S | COP(=O)(S)OP(=O)(O)O |
|
AD05066 | 8.31 | 1353.15 | C72H55O18N7Cl2 | CN(Cc1ccc2ccccc2c1)C1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |
|
AD05067 | 5.94 | 442.64 | C28H42O4 | CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3 |
|
AD05068 | 1.35 | 202.21 | C11H10O2N2 | Cc1ccc2ccc(C(N)=O)c(O)c2n1 |
|
AD05069 | -1.04 | 165.14 | C5H5ON6 | NC1=Nc2c(O)nc(N)nc2[N]1 |
|
AD05070 | 1.68 | 339.38 | C16H19ON8 | CNC(=O)c1cnn(-c2nc3c(c(NC4CCCCC4)n2)N=C[N]3)c1 |