Glycoside
GD039653
Name:
p-fluoro-7-benzyl guanine monophosphateFormula:
C17H20O8N5FPSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(F)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.35 | Num_heavy_atoms: | 32 |
| TPSA: | 197.03 | NumAromaticRings: | 3 |
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 |
AD17051
Formula: C12H10ON5F
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(F)cc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.24 | Num_heavy_atoms: | 19 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
