Glycoside
GD010652
Name:
NoneFormula:
C11H12O3N5F3SSmiles:
Nc1ncnc2c1ncn2C1OC(CSC(F)(F)F)C(O)C1OAglycone:
CSC(F)(F)F.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.31 | Num_heavy_atoms: | 23 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD08199
Formula: C2H3F3S
Smiles:
CSC(F)(F)F| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.11 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
