Glycoside
GD004676
Name:
2-(hydroxymethyl)-5-{6-[(1-phenylethyl)amino]-9H-purin-9-yl}oxolane-3,4-diolFormula:
C18H21O4N5Smiles:
C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.4 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD04052
Formula: C13H12N5
Smiles:
CC(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
