Glycoside
GD013186
Name:
NoneFormula:
C11H13O7N5F3PSmiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)C(F)(F)F)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)C(F)(F)F.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.22 | Num_heavy_atoms: | 27 |
| TPSA: | 186.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD09875
Formula: C2H4O3F3P
Smiles:
COP(=O)(O)C(F)(F)F| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.02 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
