Glycoside
GD115414
Name:
2-amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C10H12O5N5BrSmiles:
N=c1nc(O)c2nc(Br)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(Br)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.14 | Num_heavy_atoms: | 21 |
| TPSA: | 160.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD45649
Formula: C5H3ON5Br
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(Br)=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.02 | Num_heavy_atoms: | 12 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
