Glycoside
GD058633
Name:
NoneFormula:
C16H20O6N2Smiles:
C[C@H](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#N)c1cccc(C(N)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD29287
Formula: C10H10ON2
Smiles:
CC(C#N)c1cccc(C(N)=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.2 | Num_heavy_atoms: | 13 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
