aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13001 | -0.89 | 103.12 | C4H9O2N | O=CNCCCO |
|
AD13002 | 9.93 | 598.01 | C37H75O4N | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCC |
|
AD13003 | 3.95 | 880.57 | C46H74O10N5Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNC(=O)CCCNc3ccnc4cc(Cl)ccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD13004 | -14.14 | 1189.19 | C46H80O26N10 | CC(=O)NC1C(NC(=O)CN(CCOCCOCCN(CC(=O)NC2OC(CO)C(O)C(O)C2NC(C)=O)CC(=O)NC2OC(CO)C(O)C(O)C2NC(C)=O)CC(=O)NC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O |
|
AD13005 | 0.08 | 114.15 | C5H10ON2 | O=C1NCCCCN1 |
|
AD13006 | 4.63 | 462.67 | C28H46O5 | COC1=C2CC(O)CCC2(C)C2CCC3(C)C(CC(=O)C3(O)C(C)C(O)CCC(C)C)C2C1 |
|
AD13007 | 0.91 | 678.91 | C34H66O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCOCCOC)C(C)C(O)C1(C)O |
|
AD13008 | 4.05 | 373.45 | C21H27O5N | COCCOc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12 |
|
AD13009 | 0.68 | 258.21 | C9H6O7S | O=c1ccc2cc(O)c(OS(=O)(=O)O)cc2o1 |
|
AD13010 | 5.15 | 384.65 | C19H12O2N3Cl3 | Cn1cc(COc2cc(Cl)cc(Oc3cc(Cl)cc(Cl)c3)c2)nn1 |