Glycoside
GD065732
Name:
NoneFormula:
C12H15O6N2BrSmiles:
Cc1ncc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1BrAglycone:
Cc1ncc(N)cc1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 363.16 | Num_heavy_atoms: | 21 |
| TPSA: | 139.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD31629
Formula: C6H7N2Br
Smiles:
Cc1ncc(N)cc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.04 | Num_heavy_atoms: | 9 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
