Glycoside
GD011358
Name:
NoneFormula:
C16H19O5N2ClSmiles:
CC(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1OAglycone:
CNC(=O)c1ccccc1Cl.CNC(C)=OSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.78 | Num_heavy_atoms: | 23 |
| TPSA: | 107.89 | 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 |
AD01442
Formula: C9H8ONCl
Smiles:
CNC(=O)c1ccccc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
