aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19361 | 4.71 | 360.37 | C20H9O2N2FS | O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1sc3ccccc3c21 |
|
AD19362 | 1.3 | 152.28 | C5H12OS2 | CSCCOCCS |
|
AD19363 | 1.67 | 315.36 | C11H14O2N3PS2 | CCOP(=S)(NN1C(=N)SCC1=O)c1ccccc1 |
|
AD19364 | -4.29 | 1000.04 | C46H57O13N13 | COc1cc(-c2nc3ccc(CC4NC(=O)C(C(C)c5ccccc5)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C5CN=C(N)N5)NC(=O)C(C(O)C5CN=C(N)N5)NC4=O)cc3o2)cc(OC)c1OC |
|
AD19365 | 1.5 | 280.32 | C15H20O5 | CC1(C(=O)O)CCCC2(C)C3=C(COC3=O)C(O)CC12 |
|
AD19366 | 1.56 | 114.19 | C7H14O | OCC1CCCCC1 |
|
AD19367 | 9.01 | 396.7 | C26H52O2 | CCCCCCCCCCCC(CCCCCCCCCCC)CC(=O)OC |
|
AD19368 | 1.09 | 184.18 | C9H6N5 | C1=Cc2c(ncnc2-c2ccn[nH]2)[N]1 |
|
AD19369 | 1.54 | 175.19 | C10H9O2N | COc1ccc2cc[nH]c(=O)c2c1 |
|
AD19370 | 1.67 | 163.15 | C9H6ONF | O=c1[nH]ccc2cc(F)ccc12 |