Glycoside
GD084680
Name:
NoneFormula:
C16H20O6NBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Br)c1Aglycone:
NC(=O)c1ccc(C2CC2)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.24 | Num_heavy_atoms: | 24 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD37849
Formula: C10H10ONBr
Smiles:
NC(=O)c1ccc(C2CC2)c(Br)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.1 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
