Glycoside
GD038429
Name:
3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amineFormula:
C12H14O7N5PSmiles:
C#Cc1nn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c2ncnc(N)c12Aglycone:
C#CC1=N[N]c2ncnc(N)c21.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.25 | Num_heavy_atoms: | 25 |
| TPSA: | 186.07 | 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 |
AD22037
Formula: C7H4N5
Smiles:
C#CC1=N[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
