Glycoside
GD083569
Name:
NoneFormula:
C17H22O6NBrSmiles:
O=C(C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1ccc(CC2CCCN2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.27 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD37283
Formula: C11H14NBr
Smiles:
Brc1ccc(CC2CCCN2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.14 | Num_heavy_atoms: | 13 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
