Glycoside
GD143136
Name:
2-{3,4-dihydroxy-5-[(4-methylbenzenesulfonamido)methyl]oxolan-2-yl}-N-[(4-fluorophenyl)methyl]acetamideFormula:
C21H25O6N2FSSmiles:
Cc1ccc(S(=O)(=O)NCC2OC(CC(O)=NCc3ccc(F)cc3)C(O)C2O)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.5 | Num_heavy_atoms: | 31 |
| TPSA: | 128.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | 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 |
