aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07921 | 4.64 | 334.42 | C22H22O3 | COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1 |
|
AD07922 | 0.23 | 216.2 | C11H8O3N2 | O=C(c1ccccc1)n1c(=O)cc[nH]c1=O |
|
AD07923 | 2.85 | 238.06 | C11H3N4Cl2 | Clc1cc2nc3c(nc2cc1Cl)N=C[N]3 |
|
AD07924 | -4.84 | 1299.42 | C59H82O16N18 | CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)O)NC(=O)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O |
|
AD07925 | 2.09 | 308.32 | C15H14ON7 | COc1ccc(C=CC=NNc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD07926 | 2.88 | 1257.59 | C62H88O12N12S2 | CCCCCCCCCCCCC(NC(=O)CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccc(O)cc2)NC1=O |
|
AD07927 | 1.33 | 595.75 | C31H45O5N7 | CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(N)C(C)C)C(C)O)ccc21 |
|
AD07928 | 1.23 | 181.26 | C9H11ONS | O=C(CS)NCc1ccccc1 |
|
AD07929 | -4.26 | 574.62 | C20H34O8N10S | N=C(N)NCCCC(N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CSCc1cn(CCO)nn1)C(=O)O |
|
AD07930 | 4.15 | 504.71 | C30H48O6 | CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O |