Glycoside
GD045130
Name:
NoneFormula:
C11H20O5N2Smiles:
CC[C@@H](CC#N)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CCC(N)CC#NSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 133.81 | 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 |
