Glycoside
GD038166
Name:
7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)Formula:
C19H22O9N5PClSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Cl)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+](CCOc1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.83 | Num_heavy_atoms: | 34 |
| TPSA: | 206.26 | 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 |
AD04083
Formula: C14H12O2N5Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.72 | Num_heavy_atoms: | 21 |
| TPSA: | 98.11 | NumAromaticRings: | 2 |
