aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15611 | 2.2 | 347.29 | C12H7O5N6S | O=[N+]([O-])c1cc(CSc2nc(O)c3c(n2)[N]C=N3)cc([N+](=O)[O-])c1 |
|
AD15612 | 7.5 | 376.58 | C24H40O3 | CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O |
|
AD15613 | 3.29 | 311.41 | C17H17ON3S | CN(C)c1cccc(CNC(=O)c2ccc3scnc3c2)c1 |
|
AD15614 | -14.63 | 1268.23 | C46H77O35NS2 | O=C(NCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(CS)CS |
|
AD15615 | 3.33 | 525.62 | C24H35O8N3S | COCCCCCCNC(=O)OC(C)c1cc(CN2C(=O)CC(SCCCO)C2=O)ccc1[N+](=O)[O-] |
|
AD15616 | -0.26 | 170.21 | C8H14O2N2 | O=CNCCCN1CCCC1=O |
|
AD15617 | 2.93 | 172.23 | C12H12O | C=Cc1cccc(C=CC(C)=O)c1 |
|
AD15618 | 3.96 | 250.34 | C18H18O | Oc1ccc(Cc2ccc3c(c2)CC3)c(C2CC2)c1 |
|
AD15619 | 3.79 | 310.38 | C17H14O2N2S | Cc1ccc2ccc(C(=O)Nc3ccc(S)cc3)c(O)c2n1 |
|
AD15620 | 2.32 | 219.27 | C11H9O2NS | Cc1ccc2ccc(C(=O)S)c(O)c2n1 |