Glycoside
GD083668
Name:
NoneFormula:
C16H20O6NBrSmiles:
C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
CC1Cc2ccc(Br)cc2CN1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.24 | Num_heavy_atoms: | 24 |
| TPSA: | 118.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD37306
Formula: C10H12NBr
Smiles:
CC1Cc2ccc(Br)cc2CN1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.12 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
