Glycoside
GD125454
Name:
NoneFormula:
C12H22O7N2SSmiles:
CS(=O)(=O)NCC1OC(CC(=O)N2CCOCC2)C(O)C1OAglycone:
CC(=O)N1CCOCC1.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.38 | Num_heavy_atoms: | 22 |
| TPSA: | 125.4 | NumAromaticRings: | 0 |
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 |
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
