Glycoside
GD084761
Name:
NoneFormula:
C16H16O4N7FSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4cccnc4)nc(F)nc32)[C@@H](O)[C@@H]1OAglycone:
Fc1nc2c(c(NC(=S)Nc3cccnc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.41 | Num_heavy_atoms: | 29 |
| TPSA: | 150.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD37905
Formula: C11H7N7FS
Smiles:
Fc1nc2c(c(NC(=S)Nc3cccnc3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.29 | Num_heavy_atoms: | 20 |
| TPSA: | 89.19 | NumAromaticRings: | 2 |
