Glycoside
GD068798
Name:
NoneFormula:
C12H14O5N2ClBrSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(Br)cc(Cl)n2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(Br)cc(Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 369.6 | Num_heavy_atoms: | 20 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD32607
Formula: C6H4N2ClBr
Smiles:
Nc1cc(Br)cc(Cl)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 207.46 | Num_heavy_atoms: | 9 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
