Glycoside
GD051035
Name:
NoneFormula:
C16H23O5N2Smiles:
C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC([NH3+])Cc1ccc(C#N)cc1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.37 | Num_heavy_atoms: | 23 |
| TPSA: | 130.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD26699
Formula: C10H13N2
Smiles:
CC([NH3+])Cc1ccc(C#N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.23 | Num_heavy_atoms: | 12 |
| TPSA: | 51.43 | NumAromaticRings: | 1 |
