Glycoside
GD013957
Name:
THIOINOSINEFormula:
C10H12O4N4SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@H](O)[C@H]1OAglycone:
Sc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.3 | Num_heavy_atoms: | 19 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03587
Formula: C5H3N4S
Smiles:
Sc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.17 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
