Glycoside
GD025590
Name:
NoneFormula:
C31H36O4N8F4Smiles:
CC(C)N(CCCNC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)Nc1cccc(C(F)(F)F)c1.Fc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 149.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD02697
Formula: C12H9N5F
Smiles:
Fc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.24 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD06852
Formula: C15H22ON3F3
Smiles:
CC(C)N(C)CCCNC(=O)Nc1cccc(C(F)(F)F)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 317.36 | Num_heavy_atoms: | 22 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
