Glycoside
GD076362
Name:
NoneFormula:
C18H22O6N4Smiles:
N#CCc1ccc(-c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1Aglycone:
N#CCc1ccc(-c2cn(CCO)nn2)cc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.4 | Num_heavy_atoms: | 28 |
| TPSA: | 153.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD35229
Formula: C12H12ON4
Smiles:
N#CCc1ccc(-c2cn(CCO)nn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 74.73 | NumAromaticRings: | 2 |
