Glycoside
GD147701
Name:
N-benzyl-2-[5-({[(4-fluorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-methylacetamideFormula:
C22H27O4N2FSmiles:
CN(Cc1ccccc1)C(=O)CC1OC(CNCc2ccc(F)cc2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CNCc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.47 | Num_heavy_atoms: | 29 |
| TPSA: | 82.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD07955
Formula: C8H10NF
Smiles:
CNCc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.17 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
