aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16431 | 9.3 | 4059.24 | C121H152O66N48P12S11 | COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1CO |
|
AD16432 | -1.36 | 139.14 | C5H7ON4 | CC1=C(N)C(C(N)=O)=N[N]1 |
|
AD16433 | 0.93 | 236.31 | C13H20O2N2 | CNC(=O)C(NC)C(C)OCc1ccccc1 |
|
AD16434 | -4.46 | 1058.22 | C42H63O10N19S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(=N)N)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD16435 | 1.56 | 598.5 | C21H32O12N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1 |
|
AD16436 | 0.37 | 214.21 | C9H8N7 | Cn1cc(-c2nc(N)c3c(n2)[N]C=N3)cn1 |
|
AD16437 | 2.78 | 246.26 | C14H14O4 | COc1cc(OC)cc(-c2ccc(O)c(O)c2)c1 |
|
AD16438 | 0.52 | 203.25 | C11H13ON3 | NC(=O)C(N)Cc1c[nH]c2ccccc12 |
|
AD16439 | 5.97 | 294.48 | C19H34O2 | CCCCCC=CCC=CCCCCCCCC(=O)OC |
|
AD16440 | 4.76 | 300.81 | C17H13N2ClS | Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1 |