Glycoside
GD006160
Name:
NoneFormula:
C21H25O5N6SBrSmiles:
Nc1ncnc2c1nc(SCCC(=O)NCCc1cccc(Br)c1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCCC(=O)NCCc1cccc(Br)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.44 | Num_heavy_atoms: | 34 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD05122
Formula: C16H16ON6SBr
Smiles:
Nc1ncnc2c1N=C(SCCC(=O)NCCc1cccc(Br)c1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.32 | Num_heavy_atoms: | 25 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
