Glycoside
GD125173
Name:
2-[5-({[(4-fluorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-oneFormula:
C24H29O4N3F2Smiles:
O=C(CC1OC(CNCc2ccc(F)cc2)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CNCc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.51 | Num_heavy_atoms: | 33 |
| TPSA: | 85.27 | 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 |
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
