Glycoside
GD153970
Name:
2-amino-8-{[(2-bromophenyl)methyl]sulfanyl}-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C17H18O5N5SBrSmiles:
N=c1nc(O)c2nc(SCc3ccccc3Br)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(SCc1ccccc1Br)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.33 | Num_heavy_atoms: | 29 |
| TPSA: | 160.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD61195
Formula: C12H9ON5SBr
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(SCc1ccccc1Br)=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.21 | Num_heavy_atoms: | 20 |
| TPSA: | 99.22 | NumAromaticRings: | 2 |
