Glycoside
GD106168
Name:
NoneFormula:
C12H24O12N6S6Smiles:
CS(=O)(=O)OC[C@H](OS(C)(=O)=O)[C@H](OS(C)(=O)=O)[C@@H](OS(C)(=O)=O)C(/C=N/NC(N)=S)=N/NC(N)=SAglycone:
NC(=S)NN=CC=NNC(N)=SSugarmoiety:
CS(=O)(=O)OCC(OS(C)(=O)=O)C(OS(C)(=O)=O)C(O)OS(C)(=O)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 15 |
| MolWt: | 636.76 | Num_heavy_atoms: | 36 |
| TPSA: | 274.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD44122
Formula: C4H8N6S2
Smiles:
NC(=S)NN=CC=NNC(N)=S| HBA: | 6 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.28 | Num_heavy_atoms: | 12 |
| TPSA: | 100.82 | NumAromaticRings: | 0 |
