aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19141 | 8.04 | 1393.21 | C71H63O19N9Cl2 | CCCCCCCCOCc1cn(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)nn1 |
|
AD19142 | 0.54 | 1299.15 | C61H65O17N13Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(CCCNC(=N)N)C(N)=O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD19143 | 1.55 | 200.03 | C7H6ONBr | NC(=O)c1cccc(Br)c1 |
|
AD19144 | 0.44 | 140.23 | C8H16N2 | CN1CCC12CCNCC2 |
|
AD19145 | 5.74 | 456.67 | C29H44O4 | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD19146 | 0.89 | 200.2 | C5H13O4PS | COC(C)(CSC)P(=O)(O)O |
|
AD19147 | 4.44 | 492.74 | C30H52O5 | CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C |
|
AD19148 | 0.96 | 217.26 | C10H13N6 | Nc1nc2c(c(N3CCCCC3)n1)N=C[N]2 |
|
AD19149 | -1.91 | 2174.6 | C95H140O30N18S5 | CCC(C)C(NC(=O)C1CCCN1C(=O)C(CNC(=O)C1CCCN1C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CS)C(=O)N(C(C)=O)C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21)C(C)C |
|
AD19150 | 2.09 | 169.27 | C10H19ON | CCC(=O)NCC1CCCCC1 |