Glycoside
GD091717
Name:
NoneFormula:
C21H30O6N4Smiles:
CCCc1ccc(-c2cn(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)cc1Aglycone:
CCCc1ccc(-c2cn(CCO)nn2)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.49 | Num_heavy_atoms: | 31 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD39998
Formula: C13H17ON3
Smiles:
CCCc1ccc(-c2cn(CCO)nn2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 231.3 | Num_heavy_atoms: | 17 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
