aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01401 | 0.02 | 209.26 | C7H9N6S | NCCSc1nc(N)c2c(n1)[N]C=N2 |
|
AD01402 | -1.66 | 2223.81 | C109H132O29N21Cl | Cc1ccc(C(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)cc1 |
|
AD01403 | -1.47 | 196.19 | C7H10O2N5 | Nc1nc(O)c2c(n1)[nH+]cn2CCO |
|
AD01404 | -0.75 | 243.21 | C9H7ON8 | NC(=O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD01405 | 4.72 | 430.63 | C27H42O4 | CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD01406 | -0.23 | 96.09 | C4H4ON2 | O=c1cccn[nH]1 |
|
AD01407 | 1.15 | 225.19 | C11H9O2NF2 | O=C1NC=CC(O)(c2ccccc2)C1(F)F |
|
AD01408 | 1.81 | 120.15 | C8H8O | Cc1ccc(C=O)cc1 |
|
AD01409 | 2.59 | 320.43 | C19H28O4 | C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1O |
|
AD01410 | 0.52 | 520.53 | C26H32O11 | COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24 |