Glycoside
GD157504
Name:
2-[5-({[(4-fluorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-[(pyridin-3-yl)methyl]acetamideFormula:
C20H24O4N3FSmiles:
OC(CC1OC(CNCc2ccc(F)cc2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CNCc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 389.43 | Num_heavy_atoms: | 28 |
| TPSA: | 107.2 | 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 |
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
