aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23261 | -0.22 | 161.2 | C7H15O3N | CN(CCO)CCCC(=O)O |
|
AD23262 | 3.61 | 413.51 | C24H25ON6 | CC(C)(O)c1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cc1 |
|
AD23263 | 2.11 | 168.22 | C8H8O2S | CSc1cccc(C(=O)O)c1 |
|
AD23264 | 3.47 | 302.35 | C16H20O3N3 | CCOC(=O)CCCCCOc1cccc(C2=C[N]N=N2)c1 |
|
AD23265 | 6.69 | 454.7 | C30H46O3 | CC(C)=CC(=O)C=C(C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
|
AD23266 | 1.3 | 650.41 | C29H18O13NP2 | COP(=O)([O-])OC(c1cccc(NC(=O)c2ccc(C(=O)[O-])c(-c3c4ccc(=O)cc-4oc4cc([O-])ccc34)c2)c1)P(=O)([O-])[O-] |
|
AD23267 | 7.56 | 2464.02 | C118H108O37N18Cl4 | CC(C)CC(C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC2=O)n1cc(COCCOCCOCc2cn(C(CC(C)C)C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(=O)O)NC3=O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC4=O)nn2)nn1 |
|
AD23268 | 3.64 | 343.85 | C21H22O2NCl | Clc1ccccc1Cc1ccc(OCC2CN(C3COC3)C2)cc1 |
|
AD23269 | 7.66 | 1829.67 | C88H83O30N7Cl2S2 | CC1(C)OC2OC(CSC3=C(SCC4OC5OC(C)(C)OC5C5OC(C)(C)OC45)C(=O)N(C4C(=O)NC5Cc6ccc(c(Cl)c6)Oc6cc7cc(c6O)Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(O)C7NC(=O)C(NC5=O)c5cc(O)cc(c5)Oc5cc4ccc5O)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)O)NC6=O)C3=O)C3OC(C)(C)OC3C2O1 |
|
AD23270 | 0.33 | 267.27 | C13H11ON6 | Nc1ncnc2c1C(C(=O)NCc1ccccc1)=N[N]2 |