Glycoside
GD073242
Name:
NoneFormula:
C12H15O7N2BrSmiles:
Cn1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1=OAglycone:
Cn1cc(Br)cc(N)c1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 379.16 | Num_heavy_atoms: | 22 |
| TPSA: | 149.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD33996
Formula: C6H7ON2Br
Smiles:
Cn1cc(Br)cc(N)c1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 203.04 | Num_heavy_atoms: | 10 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
