Glycoside
GD136096
Name:
N-{[5-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}-4-methoxybenzamideFormula:
C22H25O6N2FSmiles:
COc1ccc(C(=O)NCC2OC(CC(O)=NCc3ccc(F)cc3)C(O)C2O)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.45 | Num_heavy_atoms: | 31 |
| TPSA: | 120.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
