Glycoside
GD070018
Name:
NoneFormula:
C18H27O5N2Smiles:
C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CC(Cc1ccc(C#N)cc1)[NH2+]CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.42 | Num_heavy_atoms: | 25 |
| TPSA: | 119.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD33168
Formula: C12H17ON2
Smiles:
CC(Cc1ccc(C#N)cc1)[NH2+]CCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 205.28 | Num_heavy_atoms: | 15 |
| TPSA: | 60.63 | NumAromaticRings: | 1 |
