Glycoside
GD073845
Name:
NoneFormula:
C16H25O6N4ClSmiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C(C)(C)Cl)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(C)(Cl)c1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.84 | Num_heavy_atoms: | 26 |
| TPSA: | 138.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD31956
Formula: C8H12ON3Cl
Smiles:
CC(C)(Cl)c1cn(CCO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.65 | Num_heavy_atoms: | 12 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
