Glycoside
GD089464
Name:
NoneFormula:
C23H30O6N3Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1Aglycone:
NC(=O)C1C[NH+](Cc2ccccn2)CC1c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.51 | Num_heavy_atoms: | 32 |
| TPSA: | 136.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD39026
Formula: C17H20ON3
Smiles:
NC(=O)C1C[NH+](Cc2ccccn2)CC1c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.37 | Num_heavy_atoms: | 21 |
| TPSA: | 60.42 | NumAromaticRings: | 2 |
