Glycoside
GD067604
Name:
NoneFormula:
C16H25O6N3Smiles:
C#CCCCCc1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCCCCc1cn(CCO)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 355.39 | Num_heavy_atoms: | 25 |
| TPSA: | 130.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD32206
Formula: C10H15ON3
Smiles:
C#CCCCCc1cn(CCO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
