aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18311 | 2.6 | 213.28 | C14H15ON | CC(C)(C(N)=O)c1cccc2ccccc12 |
|
AD18312 | 7.11 | 1396.43 | C72H88O16N10Cl2 | CCCCCCCCCCCCCCNCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD18313 | 0.07 | 139.11 | C6H5O3N | O=C(O)c1ccc(=O)[nH]c1 |
|
AD18314 | 8.78 | 3409.77 | C101H127O54N41P10S10 | COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1CO |
|
AD18315 | 14.99 | 791.04 | C45H76O7P2 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O |
|
AD18316 | 2.96 | 258.27 | C15H14O4 | Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CO |
|
AD18317 | 2.49 | 213.16 | C9H6N3F3 | FC(F)(F)c1ccc(-c2nc[nH]n2)cc1 |
|
AD18318 | 2.01 | 122.17 | C8H10O | Cc1ccc(O)cc1C |
|
AD18319 | 10.28 | 682.0 | C41H67O5N3 | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCOc1ccc(N=Nc2ccccc2)cc1 |
|
AD18320 | 5.44 | 288.48 | C20H32O | C=CC1(C)CCC(C(C)=CC=CC(C)(C)O)CC1C(=C)C |