Glycoside
GD040188
Name:
2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphateFormula:
C12H16O9N2F3PSmiles:
Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2OCC(F)(F)F)c(=O)[nH]c1=OAglycone:
COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=O.OCC(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.23 | Num_heavy_atoms: | 27 |
| TPSA: | 160.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24692
Formula: C2H3OF3
Smiles:
OCC(F)(F)F| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.04 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
