Glycoside
GD025293
Name:
NoneFormula:
C12H15O4N4FSSmiles:
OCCSC[C@@H]1O[C@H](n2cnc3c(F)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCO.Fc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.34 | Num_heavy_atoms: | 22 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03642
Formula: C3H8OS
Smiles:
CSCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.16 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD07750
Formula: C5H2N4F
Smiles:
Fc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.1 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
