Glycoside
GD038229
Name:
1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amineFormula:
C12H15O7N8PSmiles:
Nc1ncnc2c1c(-c1cnn[nH]1)nn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1C(c1cnn[nH]1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.28 | Num_heavy_atoms: | 28 |
| TPSA: | 227.64 | 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 |
AD23920
Formula: C7H5N8
Smiles:
Nc1ncnc2c1C(c1cnn[nH]1)=N[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.17 | Num_heavy_atoms: | 15 |
| TPSA: | 119.83 | NumAromaticRings: | 2 |
