aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16201 | 2.17 | 339.77 | C17H18O5NCl | Cc1c(O)ccc2c(OCCN3CCOCC3)c(Cl)c(=O)oc12 |
|
AD16202 | 2.62 | 404.45 | C22H22O3N5 | O=c1[nH]cnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCO)c1)[N]2 |
|
AD16203 | 7.24 | 628.76 | C38H44O8 | CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O |
|
AD16204 | 4.31 | 385.36 | C20H20O5NP | COP(=O)(NCC(=O)OCc1ccccc1)Oc1cccc2ccccc12 |
|
AD16205 | 2.27 | 863.01 | C48H62O14 | COC(=O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC#Cc3ccc(cc3)-c3ccc(cc3)C#CC=CC(O)CC1O2 |
|
AD16206 | -0.22 | 261.29 | C10H9ON6S | C#CCNC(=O)CSC1=Nc2c(N)ncnc2[N]1 |
|
AD16207 | 1.0 | 384.34 | C20H16O8 | COC(=O)C1=COC(O)C2C1C=CC21C=C(C(=O)c2ccc(O)cc2)C(=O)O1 |
|
AD16208 | 0.67 | 152.18 | C5H4N4S | Nc1ncnc2cnsc12 |
|
AD16209 | 4.58 | 1269.07 | C64H55O17N9Cl2 | CNCCN(C)C(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD16210 | 3.6 | 256.14 | C12H5N2Cl2S | C#CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1 |