aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04461 | 0.09 | 135.11 | C5H3ON4 | Oc1ncnc2c1[N]C=N2 |
|
AD04462 | 2.46 | 253.31 | C14H15N5 | CCn1cnc2c(NCc3ccccc3)ncnc21 |
|
AD04463 | -0.09 | 178.26 | C6H14O2N2S | CSCCC(N)C(=O)N(C)O |
|
AD04464 | 3.18 | 386.44 | C19H14N8S | S=c1[nH]nc(Cn2nnc(-c3cccnc3)n2)n1-c1cccc2ccccc12 |
|
AD04465 | 3.5 | 452.68 | C27H48O5 | CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O |
|
AD04466 | 0.76 | 240.29 | C9H12O2N4S | CSc1nc(N)c(N=C(C)C(C)=O)c(=O)[nH]1 |
|
AD04467 | 1.59 | 169.61 | C9H8ONCl | O=CNCc1cccc(Cl)c1 |
|
AD04468 | 5.66 | 470.69 | C30H46O4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O |
|
AD04469 | 2.29 | 345.44 | C20H27O4N | C=C1CCC(O)C2C=CC(C)C(C(O)=C3C(=O)NC(C(C)C)C3=O)C12 |
|
AD04470 | 2.38 | 221.09 | C10H10ON2Cl2 | CCNC(=O)c1[nH]c(C)c(Cl)c1Cl |