Glycoside
GD132831
Name:
NoneFormula:
C15H21O6N2FSSmiles:
CS(=O)(=O)NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1OAglycone:
CC(O)=NCc1ccc(F)cc1.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.41 | Num_heavy_atoms: | 25 |
| TPSA: | 128.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
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 |
