Glycoside
GD018106
Name:
NoneFormula:
C21H22O5N3ClSmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)Nc1ccccc1Aglycone:
CNC(=O)Nc1ccccc1.CNC(=O)c1ccccc1ClSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.87 | Num_heavy_atoms: | 29 |
| TPSA: | 119.92 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD12829
Formula: C8H10ON2
Smiles:
CNC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
