Glycoside
GD151044
Name:
2-amino-8-{[(4-chlorophenyl)methyl]sulfanyl}-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C18H18O5N5ClSSmiles:
N=c1nc(O)c2nc(SCc3ccc(Cl)cc3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(SCc1ccc(Cl)cc1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.88 | Num_heavy_atoms: | 29 |
| TPSA: | 160.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD60281
Formula: C13H9ON5ClS
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(SCc1ccc(Cl)cc1)=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.76 | Num_heavy_atoms: | 20 |
| TPSA: | 99.22 | NumAromaticRings: | 2 |
