Glycoside
GD147823
Name:
2-[5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamideFormula:
C20H23O6N2FSSmiles:
O=S(=O)(NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1O)c1ccccc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.48 | Num_heavy_atoms: | 30 |
| TPSA: | 128.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD05137
Formula: C7H9O2NS
Smiles:
CNS(=O)(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 171.22 | Num_heavy_atoms: | 11 |
| 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 |
