Glycoside
GD016195
Name:
5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetateFormula:
C12H15O5N5Smiles:
CC(=O)O[C@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
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 |
