Glycoside
GD056023
Name:
NoneFormula:
C16H20O6N2Smiles:
Cn1ccc2cc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc21Aglycone:
Cn1ccc2cc(CN)ccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 132.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD28195
Formula: C10H12N2
Smiles:
Cn1ccc2cc(CN)ccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.22 | Num_heavy_atoms: | 12 |
| TPSA: | 30.95 | NumAromaticRings: | 2 |
