Glycoside
GD050666
Name:
NoneFormula:
C16H23O5N2Smiles:
C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])Cc1cccc(C#N)c1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 323.37 | Num_heavy_atoms: | 23 |
| TPSA: | 138.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD26687
Formula: C10H13N2
Smiles:
CC([NH3+])Cc1cccc(C#N)c1| 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 |
