Glycoside
GD069962
Name:
NoneFormula:
C17H22O6N2Smiles:
CC(C)(C#N)c1cccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
CC(C)(C#N)c1cccc(C(N)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD33144
Formula: C11H12ON2
Smiles:
CC(C)(C#N)c1cccc(C(N)=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
