Glycoside
GD081793
Name:
NoneFormula:
C15H20O7NBrSmiles:
COc1ccc(Br)cc1CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COc1ccc(Br)cc1CCNSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 406.23 | Num_heavy_atoms: | 24 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD36765
Formula: C9H12ONBr
Smiles:
COc1ccc(Br)cc1CCN| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.1 | Num_heavy_atoms: | 12 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
