Glycoside
GD067946
Name:
NoneFormula:
C17H23O6N2FSmiles:
COCC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@@H](O)[C@@H]1OAglycone:
CC(=O)NCc1ccc(F)cc1.CNC(=O)COCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.38 | Num_heavy_atoms: | 26 |
| TPSA: | 117.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD22745
Formula: C9H10ONF
Smiles:
CC(=O)NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD27258
Formula: C4H9O2N
Smiles:
CNC(=O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
