Glycoside
GD101734
Name:
NoneFormula:
C15H16O5N5SBrSmiles:
OCc1cc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cs1Aglycone:
OCc1cc(Nc2ncnc3c2N=C(Br)[N]3)cs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.29 | Num_heavy_atoms: | 27 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD43079
Formula: C10H7ON5SBr
Smiles:
OCc1cc(Nc2ncnc3c2N=C(Br)[N]3)cs1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.17 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
