Glycoside
GD038776
Name:
6-chloropurine riboside, 5'-monophosphateFormula:
C11H13O7N4PClSmiles:
O=P(O)(O)OC[C@H]1O[C@H](n2cnc3c(Cl)[nH+]cnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Clc1[nH+]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.66 | Num_heavy_atoms: | 23 |
| TPSA: | 161.3 | NumAromaticRings: | 2 |
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 |
AD24136
Formula: C6H3N4Cl
Smiles:
Clc1[nH+]cnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.56 | Num_heavy_atoms: | 10 |
| TPSA: | 53.49 | NumAromaticRings: | 1 |
