Glycoside
GD045007
Name:
NoneFormula:
C12H20O6N2Smiles:
CC(C)C[C@H](C#N)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CC(C)CC(N)C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 288.3 | Num_heavy_atoms: | 20 |
| TPSA: | 150.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD25158
Formula: C6H12N2
Smiles:
CC(C)CC(N)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.18 | Num_heavy_atoms: | 8 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
