Glycoside
GD029427
Name:
NoneFormula:
C13H16O6NBrSmiles:
O=C(N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@H]1O)c1cccc(Br)c1Aglycone:
NC(=O)c1cccc(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.18 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD19143
Formula: C7H6ONBr
Smiles:
NC(=O)c1cccc(Br)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.03 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
