Glycoside
GD069927
Name:
NoneFormula:
C17H22O6N2Smiles:
Cc1cc(C#N)cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1Aglycone:
Cc1cc(C#N)cc(C(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 132.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD33124
Formula: C11H12O2N2
Smiles:
Cc1cc(C#N)cc(C(=O)NCCO)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 73.12 | NumAromaticRings: | 1 |
