Glycoside
GD091309
Name:
NoneFormula:
C14H19O4N6SBrSmiles:
CC(C)NC(=S)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C)NC(=S)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.32 | Num_heavy_atoms: | 26 |
| TPSA: | 137.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD39831
Formula: C9H10N6SBr
Smiles:
CC(C)NC(=S)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.19 | Num_heavy_atoms: | 17 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
