aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23481 | 4.11 | 647.77 | C35H45O7N5 | CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCc2cn(-c3cnc4ccccc4c3)nn2)C=CC(C)=CC1CO |
|
AD23482 | -1.26 | 692.78 | C29H48O8N12 | OCCCn1cc(COCC(COCc2cn(CCCO)nn2)(COCc2cn(CCCO)nn2)COCc2cn(CCCO)nn2)nn1 |
|
AD23483 | 3.93 | 1323.12 | C64H61O20N9Cl2 | C#CCOCCOCCOCc1cn(C(CC(C)C)C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)O)NC2=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC3=O)nn1 |
|
AD23484 | 2.84 | 298.76 | C16H13N5Cl | CN(c1nc(Cl)nc2c1C=N[N]2)C1CCc2ccccc21 |
|
AD23485 | -0.86 | 380.47 | C17H24O4N4S | CNC(=O)CCC(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O |
|
AD23486 | -2.33 | 362.35 | C14H18O4N8 | O=c1c(NCc2cn(CCO)nn2)c(NCc2cn(CCO)nn2)c1=O |
|
AD23487 | 0.28 | 621.68 | C27H31O5N11S | CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(Cc3c[nH]cn3)C(N)=O)c2)cs1 |
|
AD23488 | 3.64 | 476.94 | C24H26O4N4FCl | OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 |
|
AD23489 | 1.83 | 236.38 | C13H20N2S | CSCCNCC1CNCc2ccccc21 |
|
AD23490 | 0.69 | 532.72 | C27H52O8N2 | CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OCCN(C)CC(C)C(O)C(C)CC2(C)O)O1 |