aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04741 | -8.57 | 2117.39 | C88H129O25N31S3 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CNC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)C(C)O)CC2 |
|
AD04742 | -1.36 | 898.11 | C42H75O12N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CC(OC(C)(C)C)CN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD04743 | -3.18 | 842.01 | C38H67O12N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CC(O)CN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD04744 | 7.04 | 424.67 | C29H44O2 | CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C |
|
AD04745 | 4.44 | 417.42 | C24H19O6N | COc1cccc(-c2cc(C(=O)Nc3cc(=O)c4cc(O)ccc4o3)ccc2OC)c1 |
|
AD04746 | -0.76 | 184.15 | C7H8O4N2 | CCOC(=O)c1c[nH]c(=O)[nH]c1=O |
|
AD04747 | -0.55 | 271.2 | C8H12O3N6P | Nc1ncnc2c1N=C(NCCCP(=O)(O)O)[N]2 |
|
AD04748 | 2.58 | 270.24 | C15H10O5 | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 |
|
AD04749 | 1.01 | 154.56 | C6H3N4Cl | Clc1ncnc2cn[nH]c12 |
|
AD04750 | 10.43 | 714.92 | C34H68O9P2S | CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCC |