Glycoside
GD116847
Name:
2-[2-amino-6-hydroxy-8-(morpholin-4-yl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C14H20O6N6Smiles:
N=c1nc(O)c2nc(N3CCOCC3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(N1CCOCC1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.35 | Num_heavy_atoms: | 26 |
| TPSA: | 172.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD46486
Formula: C9H11O2N6
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(N1CCOCC1)=N2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 235.23 | Num_heavy_atoms: | 17 |
| TPSA: | 111.69 | NumAromaticRings: | 1 |
