aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03631 | 3.42 | 400.52 | C24H32O5 | CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1 |
|
AD03632 | 2.21 | 315.34 | C13H11O2N6S | Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2 |
|
AD03633 | 3.58 | 243.74 | C16H14NCl | Clc1ccc(C2NCCc3ccccc32)cc1 |
|
AD03634 | 2.16 | 334.2 | C11H16O6N2P2 | COP(=O)(O)OP(=O)(O)NCCc1c[nH]c2ccccc12 |
|
AD03635 | -1.32 | 164.15 | C6H6ON5 | C[N+]1=C[N]c2nc(N)nc([O-])c21 |
|
AD03636 | 1.11 | 293.32 | C9H11O6NS2 | COc1ccc(C(S)=NOS(=O)(=O)O)cc1OC |
|
AD03637 | 2.33 | 312.33 | C17H16O4N2 | OCCn1ncc(-c2ccc(O)cc2)c1-c1ccc(O)cc1O |
|
AD03638 | 9.11 | 713.08 | C44H74O6N | CCCCCCCCCCCC[N+](C)(C)C1CCC(OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)OC1C |
|
AD03639 | 7.08 | 1629.04 | C84H91O19N11Cl3 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCC[N+](C)(C)C)c(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4cccc(C=Cc5ccc(Cl)cc5)c4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD03640 | -0.1 | 225.03 | C8H6O3N2Cl2 | O=c1[nH]cc(C(O)C(Cl)Cl)c(=O)[nH]1 |