Glycoside
GD052342
Name:
NoneFormula:
C12H16O4NBrSmiles:
C[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Nc1ccc(Br)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.17 | Num_heavy_atoms: | 18 |
| TPSA: | 81.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD17437
Formula: C6H6NBr
Smiles:
Nc1ccc(Br)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 172.03 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
