Glycoside
GD010628
Name:
NoneFormula:
C16H19O4N6SBrSmiles:
Nc1nc(NCCc2cc(Br)cs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NCCc2cc(Br)cs2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.34 | Num_heavy_atoms: | 28 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD08184
Formula: C11H10N6SBr
Smiles:
Nc1nc(NCCc2cc(Br)cs2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.21 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
