Glycoside
GD045108
Name:
NoneFormula:
C12H17O6N3Smiles:
C#CCOCc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
C#CCOCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 130.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD25192
Formula: C7H9ON3
Smiles:
C#CCOCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 151.17 | Num_heavy_atoms: | 11 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
