Glycoside
GD066749
Name:
NoneFormula:
C12H15O6N2BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnccc1BrAglycone:
NC(=O)c1cnccc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.16 | Num_heavy_atoms: | 21 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD31923
Formula: C6H5ON2Br
Smiles:
NC(=O)c1cnccc1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.02 | Num_heavy_atoms: | 10 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
