Glycoside
GD077187
Name:
2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C18H22O4N6Smiles:
Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
Nc1ccc(CCNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD07144
Formula: C13H13N6
Smiles:
Nc1ccc(CCNc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
