Glycoside
GD044976
Name:
NoneFormula:
C11H18O6N2Smiles:
CC[C@H](CC#N)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCC(N)CC#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 274.27 | Num_heavy_atoms: | 19 |
| TPSA: | 150.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD25154
Formula: C5H10N2
Smiles:
CCC(N)CC#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 98.15 | Num_heavy_atoms: | 7 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
