Glycoside
GD017749
Name:
NoneFormula:
C17H18O5N5SBrSmiles:
Nc1nc(O)c2nc(SCc3ccccc3Br)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(O)c2c(n1)[N]C(SCc1ccccc1Br)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.33 | Num_heavy_atoms: | 29 |
| TPSA: | 159.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD12632
Formula: C12H9ON5SBr
Smiles:
Nc1nc(O)c2c(n1)[N]C(SCc1ccccc1Br)=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.21 | Num_heavy_atoms: | 20 |
| TPSA: | 98.49 | NumAromaticRings: | 2 |
