Glycoside
GD085132
Name:
NoneFormula:
C17H25O5N2BrSmiles:
O=C[C@H](NC1CCN(c2ccc(Br)cc2)CC1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NC1CCN(c2ccc(Br)cc2)CC1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.3 | Num_heavy_atoms: | 25 |
| TPSA: | 113.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD38086
Formula: C11H15N2Br
Smiles:
NC1CCN(c2ccc(Br)cc2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.16 | Num_heavy_atoms: | 14 |
| TPSA: | 29.26 | NumAromaticRings: | 1 |
