Glycoside
GD045019
Name:
NoneFormula:
C11H16O6N2Smiles:
CC1(C#N)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1Aglycone:
CC1(C#N)CNC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.26 | Num_heavy_atoms: | 19 |
| TPSA: | 142.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD25162
Formula: C5H8N2
Smiles:
CC1(C#N)CNC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.13 | Num_heavy_atoms: | 7 |
| TPSA: | 35.82 | NumAromaticRings: | 0 |
