Glycoside
GD031157
Name:
NoneFormula:
C21H20O5N2FClSmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1FAglycone:
CNC(=O)c1ccccc1Cl.CNC(=O)c1ccccc1FSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.84 | Num_heavy_atoms: | 29 |
| TPSA: | 107.89 | 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 |
AD20092
Formula: C8H8ONF
Smiles:
CNC(=O)c1ccccc1F| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
