Glycoside
GD091249
Name:
NoneFormula:
C16H21O5N6FSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NC[C@H]4CCCO4)nc(F)nc32)[C@@H](O)[C@@H]1OAglycone:
Fc1nc2c(c(NC(=S)NCC3CCCO3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.45 | Num_heavy_atoms: | 29 |
| TPSA: | 146.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD39781
Formula: C11H12ON6FS
Smiles:
Fc1nc2c(c(NC(=S)NCC3CCCO3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.32 | Num_heavy_atoms: | 20 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
