Glycoside
GD015701
Name:
4-(acetyloxy)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl acetateFormula:
C14H17O6N5Smiles:
CC(=O)O[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1OC(C)=OAglycone:
Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.32 | Num_heavy_atoms: | 25 |
| TPSA: | 151.68 | 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 |
