Glycoside
GD076498
Name:
NoneFormula:
C15H16O6NBrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(C#CBr)cc1Aglycone:
NC(=O)c1ccc(C#CBr)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.2 | Num_heavy_atoms: | 23 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD35267
Formula: C9H6ONBr
Smiles:
NC(=O)c1ccc(C#CBr)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.06 | Num_heavy_atoms: | 12 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
