Glycoside
GD057814
Name:
NoneFormula:
C16H25O6N2Smiles:
C[NH+](C)Cc1cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1Aglycone:
C[NH+](C)Cc1cccc(CN)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 341.38 | Num_heavy_atoms: | 24 |
| TPSA: | 131.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD29013
Formula: C10H17N2
Smiles:
C[NH+](C)Cc1cccc(CN)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.26 | Num_heavy_atoms: | 12 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
