Glycoside
GD061541
Name:
NoneFormula:
C16H27O5N2Smiles:
C[C@@H](Cc1ccccn1)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CC(Cc1ccccn1)[NH2+]CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 327.4 | Num_heavy_atoms: | 23 |
| TPSA: | 108.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD30167
Formula: C10H17ON2
Smiles:
CC(Cc1ccccn1)[NH2+]CCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 181.26 | Num_heavy_atoms: | 13 |
| TPSA: | 49.73 | NumAromaticRings: | 1 |
