aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11431 | 1.95 | 175.19 | C10H9O2N | COC(=O)c1c[nH]c2ccccc12 |
|
AD11432 | 3.87 | 395.41 | C22H21O6N | Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 |
|
AD11433 | -1.42 | 2251.87 | C111H136O29N21Cl | Cc1cc(C)cc(CC(=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)c1 |
|
AD11434 | 0.73 | 204.7 | C10H17ON2Cl | CC(Cl)CNC(=O)C1CCNCC1 |
|
AD11435 | -0.26 | 383.83 | C15H26O7N3Cl | CCCN(C(=O)N(CCCl)N=O)C1OC(CO)C(COC)C(O)C1O |
|
AD11436 | 1.3 | 257.23 | C11H9O2N6 | O=C(NCc1ccco1)Nc1ncnc2c1N=C[N]2 |
|
AD11437 | 2.52 | 319.17 | C11H5N5SBr | N#CC1=C(c2ccc(Br)s2)[N]c2ncnc(N)c21 |
|
AD11438 | 0.53 | 115.16 | C3H5N3S | CSc1ncn[nH]1 |
|
AD11439 | 0.23 | 226.23 | C11H14O5 | COC(=O)C1=COC(O)C2C(C)C(=O)CC12 |
|
AD11440 | 1.2 | 267.28 | C13H17O5N | COc1cc(C2=NOC(CO)C2)cc(OC)c1OC |