Glycoside
GD092361
Name:
NoneFormula:
C17H20O7NBrSmiles:
C/C(=C\C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)c1ccc(Br)cc1Aglycone:
CC(=CC(N)=O)C(=O)c1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.25 | Num_heavy_atoms: | 26 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD40296
Formula: C11H10O2NBr
Smiles:
CC(=CC(N)=O)C(=O)c1ccc(Br)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.11 | Num_heavy_atoms: | 15 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
