Glycoside
GD127005
Name:
4-(dimethylamino)-N-{[5-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}benzamideFormula:
C23H28O5N3FSmiles:
CN(C)c1ccc(C(=O)NCC2OC(CC(O)=NCc3ccc(F)cc3)C(O)C2O)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 445.49 | Num_heavy_atoms: | 32 |
| TPSA: | 114.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD35315
Formula: C10H14ON2
Smiles:
CNC(=O)c1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | 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 |
