Glycoside
GD039601
Name:
5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosineFormula:
C25H21O9N7FPSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.46 | Num_heavy_atoms: | 43 |
| TPSA: | 231.06 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18926
Formula: C16H12O6N2FP
Smiles:
COP(=O)(O)OC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.25 | Num_heavy_atoms: | 26 |
| TPSA: | 111.75 | NumAromaticRings: | 3 |
