Glycoside
GD001433
Name:
NoneFormula:
C23H25O5N2ClSmiles:
O=C(CCc1ccccc1)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1OAglycone:
CNC(=O)CCc1ccccc1.CNC(=O)c1ccccc1ClSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.9 | Num_heavy_atoms: | 30 |
| TPSA: | 107.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD01441
Formula: C10H13ON
Smiles:
CNC(=O)CCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
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 |
