aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23801 | 1.64 | 560.5 | C19H34O11N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1 |
|
AD23802 | 1.41 | 558.48 | C19H32O11N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1 |
|
AD23803 | 2.87 | 326.4 | C18H22O2N4 | CC(C)=CCN1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21 |
|
AD23804 | 2.35 | 325.39 | C18H21O2N4 | Cc1cc2c3c(c1C)C(C)(C)CC=[N+]3c1c([nH]c(=O)[nH]c1=O)N2C |
|
AD23805 | 13.46 | 712.27 | C44H89O3NS | CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD23806 | 3.76 | 444.54 | C26H28O3N4 | Cc1cc2c3c(c1C)C(C)(C)CC(C(=O)Cc1ccccc1)N3c1c([nH]c(=O)[nH]c1=O)N2C |
|
AD23807 | -0.19 | 125.13 | C5H7ON3 | CNc1cc[nH]c(=O)n1 |
|
AD23808 | 0.47 | 383.41 | C18H21O3N7 | Cc1cc2c(cc1C)N(C(=O)C=CCNC(=N)N)c1c([nH]c(=O)[nH]c1=O)N2C |
|
AD23809 | 2.37 | 401.47 | C20H27O4N5 | CCNC(=N)NCCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1 |
|
AD23810 | -0.02 | 607.34 | C17H28O15N3P3 | COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=Cc2c(COP(=O)(O)O)cnc(C)c2O)C(O)C1NC(C)=O |