Glycoside
GD089392
Name:
NoneFormula:
C12H14O6N5SBrSmiles:
C=CS(=O)(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
C=CS(=O)(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.24 | Num_heavy_atoms: | 25 |
| TPSA: | 159.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD38997
Formula: C7H5O2N5SBr
Smiles:
C=CS(=O)(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.12 | Num_heavy_atoms: | 16 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
