aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03501 | 2.43 | 396.17 | C7H19O9N4P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCCCCCN=[N+]=[N-] |
|
AD03502 | 4.23 | 530.73 | C31H48O6N | CCC1CCCC(OC(=O)CCC[N+](C)(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1 |
|
AD03503 | 0.57 | 133.13 | C6H5N4 | Nc1ccnc2c1N=C[N]2 |
|
AD03504 | -5.83 | 1219.42 | C49H78O13N20S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(O)C(O)c1nc(-c2nc(C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD03505 | 8.2 | 580.72 | C37H40O6 | O=C(O)Cc1cccc(-c2cc(CCCCCCCCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1 |
|
AD03506 | 1.19 | 182.17 | C9H10O4 | COC(=O)c1ccc(OC)cc1O |
|
AD03507 | -1.58 | 230.24 | C6H14O7S | COCC(CO)(CO)COS(=O)(=O)O |
|
AD03508 | 5.48 | 641.91 | C38H61O6N2 | CCCCCCC[N+]1(C)CCN(CC(=O)OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CC1 |
|
AD03509 | 2.47 | 562.66 | C30H42O10 | CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O |
|
AD03510 | 3.91 | 247.32 | C17H15N2 | Cc1c2cc[nH+]cc2c(C)c2c1[nH]c1ccccc12 |