Glycoside
GD050782
Name:
NoneFormula:
C15H20O6N2Smiles:
COc1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(CC#N)c1Aglycone:
COc1ccc(N)c(CC#N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.33 | Num_heavy_atoms: | 23 |
| TPSA: | 135.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD26735
Formula: C9H10ON2
Smiles:
COc1ccc(N)c(CC#N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 59.04 | NumAromaticRings: | 1 |
