Glycoside
GD133515
Name:
NucleocidinFormula:
C10H13O6N6FSSmiles:
Nc1ncnc2c1ncn2C1OC(F)(COS(N)(=O)=O)C(O)C1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)(F)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.32 | Num_heavy_atoms: | 24 |
| TPSA: | 188.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
