aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07571 | -1.12 | 2241.87 | C110H138O29N21Cl | CC(C)CC=CC=CC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD07572 | 2.63 | 208.3 | C13H20O2 | CC1=CC(=O)CC(C)(C)C1=CCC(C)O |
|
AD07573 | 2.39 | 302.24 | C14H7N5F3 | Nc1nc(C#Cc2ccc(C(F)(F)F)cc2)nc2c1N=C[N]2 |
|
AD07574 | -0.5 | 117.15 | C5H11O2N | CC(C)(CO)NC=O |
|
AD07575 | -1.17 | 332.31 | C13H20O8N2 | COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O |
|
AD07576 | 3.07 | 850.18 | C44H75O9N5S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)NCCc2ccccc2)C(C)C(O)C1(C)O |
|
AD07577 | 4.49 | 874.94 | C44H69O10N5Cl2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=O)Nc2ccc(Cl)cc2Cl)C(C)C(O)C1(C)O |
|
AD07578 | -1.61 | 813.91 | C39H55O12N7 | COC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C |
|
AD07579 | 1.78 | 290.23 | C14H10O7 | COc1cc2c(=O)c3c(O)c(O)c(O)cc3oc2cc1O |
|
AD07580 | 4.51 | 336.35 | C22H12O2N2 | O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21 |