Glycoside
GD083629
Name:
NoneFormula:
C16H20O6NBrSmiles:
O=C(N[C@@H]1CCc2cc(Br)ccc2C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NC1CCc2cc(Br)ccc2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.24 | Num_heavy_atoms: | 24 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD37295
Formula: C10H12NBr
Smiles:
NC1CCc2cc(Br)ccc2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.12 | Num_heavy_atoms: | 12 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
