Glycoside
GD059311
Name:
NoneFormula:
C17H22O5N2Smiles:
CC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1OAglycone:
CC(=O)N1CCc2ccccc21.CNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 99.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
