Glycoside
GD028526
Name:
2-(6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C11H11O4N4ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.68 | Num_heavy_atoms: | 19 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD05203
Formula: C6H2N4Cl
Smiles:
Clc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.55 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
