active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD028381 | 0.31 | 415.43 | C19H17O6N3S | N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1O |
|
GD002266 | 3.21 | 969.04 | C50H64O19 | C[C@H]1[C@H](C)CC[C@]2(C(=O)OC3OC(CO)C(O)C(O)C3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)O[C@H]6C(CO)(CO)[C@H]5CC[C@]43C)[C@@H]12 |
|
GD002715 | 3.32 | 632.62 | C33H32O11N2 | COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 |
|
GD033923 | 4.75 | 514.53 | C29H26O7N2 | CC(=O)OC1COC(n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)C(OC(C)=O)C1OC(C)=O |
|
GD017704 | 5.57 | 1110.09 | C55H59O20N5 | COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(OC7OC(C)(C)C(OC)C(OC(=O)c8ccc(C)[nH]8)C7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C |
|
GD006635 | 2.85 | 512.54 | C25H24O8N2S | CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C1OC(C)=O |
|
GD010264 | 0.17 | 478.3 | C20H20O6N3Br | O=c1c2ccc(Br)cc2nc(-c2ccccc2)n1NC1OC(CO)C(O)C(O)C1O |
|
GD005372 | 3.14 | 975.89 | C35H60O17N7P3S | CCCCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O |
|
GD013900 | -1.3 | 511.44 | C21H25O12N3 | COc1nc2c(c(O)c(C)c(=O)n2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C |
|
GD010052 | 3.21 | 969.04 | C50H64O19 | C[C@H]1[C@H](C)CC[C@]2(C(=O)OC3OC(CO)C(O)C(O)C3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC[C@@]6(CO)[C@H]5CC[C@]43C)[C@@H]12 |