Glycoside
GD038244
Name:
n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamideFormula:
C25H25O6N6FSmiles:
C[C@H](C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1OAglycone:
CC(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.51 | Num_heavy_atoms: | 38 |
| TPSA: | 188.87 | NumAromaticRings: | 4 |
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 |
AD23927
Formula: C16H16O3NF
Smiles:
CC(C)NC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.31 | Num_heavy_atoms: | 21 |
| TPSA: | 69.56 | NumAromaticRings: | 2 |
