Glycoside
GD072606
Name:
NoneFormula:
C13H17O7N2BrSmiles:
CCOc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cnc1BrAglycone:
CCOc1cc(N)cnc1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 393.19 | Num_heavy_atoms: | 23 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD33832
Formula: C7H9ON2Br
Smiles:
CCOc1cc(N)cnc1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 217.07 | Num_heavy_atoms: | 11 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
