Glycoside
GD058540
Name:
NoneFormula:
C16H18O6N2Smiles:
N#CC1(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)Cc2ccccc2C1Aglycone:
N#CC1(N)Cc2ccccc2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD29254
Formula: C10H10N2
Smiles:
N#CC1(N)Cc2ccccc2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
