Glycoside
GD058819
Name:
NoneFormula:
C16H25O6N2Smiles:
C#CCCC[NH+]1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1Aglycone:
C#CCCC[NH+]1CC2(CN(C=O)C2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.38 | Num_heavy_atoms: | 24 |
| TPSA: | 114.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD29355
Formula: C11H17ON2
Smiles:
C#CCCC[NH+]1CC2(CN(C=O)C2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.27 | Num_heavy_atoms: | 14 |
| TPSA: | 24.75 | NumAromaticRings: | 0 |
