Glycoside
GD047036
Name:
2-{6-[(2-hydroxyethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C12H17O5N5Smiles:
OCCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
OCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 311.3 | Num_heavy_atoms: | 22 |
| TPSA: | 145.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD08491
Formula: C7H8ON5
Smiles:
OCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.18 | Num_heavy_atoms: | 13 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
