aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06611 | 1.7 | 230.35 | C13H26O3 | CC(O)CCC1(O)C(C)CC(O)CC1(C)C |
|
AD06612 | 1.05 | 383.36 | C20H17O7N | COC1C(O)c2c(cc3c(c2O)C(=N)c2c(O)cccc2C3=O)C(=O)C1(C)O |
|
AD06613 | 3.49 | 568.71 | C31H38O2N9 | CN(CCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C(=O)NCCN1CCCCC1 |
|
AD06614 | 1.13 | 192.22 | C9H12ON4 | CN(C)Cc1cc(-c2ncc[nH]2)no1 |
|
AD06615 | 1.24 | 673.53 | C22H33O15N3P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1[N+](=O)[O-])C(=O)O |
|
AD06616 | 3.91 | 268.43 | C11H12N2S3 | S=c1[nH]c(S)nc2sc3c(c12)CCCCC3 |
|
AD06617 | 2.1 | 707.43 | C22H33O13N2P2SBr | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Br)C(=O)O |
|
AD06618 | 0.46 | 219.2 | C10H9O3N3 | O=C(O)c1ccc(-n2cc(CO)nn2)cc1 |
|
AD06619 | 3.33 | 312.4 | C14H10N5S2 | C1=Nc2c(CCSc3nc4ccccc4s3)ncnc2[N]1 |
|
AD06620 | -1.98 | 239.22 | C8H11O3N6 | NC(=O)CCC(N=C(N)C1=N[N]C=N1)C(=O)O |