Glycoside
GD088216
Name:
NoneFormula:
C16H20O8NBrSmiles:
COC(=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(Br)cc1Aglycone:
COC(=O)CC(N)c1ccc(Br)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.24 | Num_heavy_atoms: | 26 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD38615
Formula: C10H12O2NBr
Smiles:
COC(=O)CC(N)c1ccc(Br)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.12 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
