Glycoside
GD037753
Name:
1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamideFormula:
C26H24O10N4F3PSSmiles:
O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2c(cnn2[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)(O)O.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2c(c1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.53 | Num_heavy_atoms: | 45 |
| TPSA: | 210.4 | NumAromaticRings: | 4 |
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 |
AD23724
Formula: C21H14O3N4F3S
Smiles:
O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2c(c1)C=N[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.43 | Num_heavy_atoms: | 32 |
| TPSA: | 102.59 | NumAromaticRings: | 3 |
