Glycoside
GD044971
Name:
NoneFormula:
C12H18O6N2Smiles:
N#CC1(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC1Aglycone:
N#CC1(CN)CCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 150.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD25151
Formula: C6H10N2
Smiles:
N#CC1(CN)CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
