Glycoside
GD136279
Name:
2-amino-8-(benzylamino)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C17H20O5N6Smiles:
N=c1nc(O)c2[nH]c(=NCc3ccccc3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(=NCc1ccccc1)N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.38 | Num_heavy_atoms: | 28 |
| TPSA: | 175.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD55081
Formula: C12H11ON6
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(=NCc1ccccc1)N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.26 | Num_heavy_atoms: | 19 |
| TPSA: | 111.25 | NumAromaticRings: | 2 |
