natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114653 | 3.32 | 971.24 | C52H82O13N4 | CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1 |
|
GD114654 | 8.01 | 528.86 | C35H60O3 | CC(CCC1OCC(O)C1O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C |
|
GD114655 | -4.51 | 858.84 | C36H58O23 | COCC1OC(OC2OCC3OC4(OC3C2O)OC(C)C(O)(C(C)=O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1OC1OC(C)C(O)C(C)(O)C1O |
|
GD114656 | 3.43 | 1100.36 | C59H85O13N7 | CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34C5=CC(C6C(C(c7cnc[nH]7)C(O)CC(N)O)N=C(O)C67CCCC7)C6C(O)C(OC7OCC(O)C(O)C7O)C(C)(CO)C(CCC3(C)C1(CC5)C1Cc3nc[nH]c3NCC12)C64C |
|
GD114657 | 2.76 | 516.59 | C28H36O9 | COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)C3CCCC3)c(C3CCCC3)cc2c1 |
|
GD114658 | 1.31 | 574.49 | C27H26O14 | CC(=O)OCC1OC(Oc2ccc3c(c2O)OC(=Cc2ccc(O)c(O)c2)C3=O)C(O)C(OC(C)=O)C1OC(C)=O |
|
GD114659 | 3.99 | 660.72 | C37H40O11 | CCC(Cc1ccccc1)c1ccccc1CCC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c2c1O |
|
GD114660 | 1.11 | 713.86 | C36H59O13N | CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)COC1OC(C)C(O)C(O)C1OC |
|
GD114661 | -6.61 | 2144.31 | C100H158O49 | C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(O)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OC(C)C(O)C(O)C1O |
|
GD114662 | -3.92 | 756.66 | C33H40O20 | CC1OC(OC2C(CO)OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O |