Glycoside
GD008332
Name:
NoneFormula:
C8H13O6N5S2Smiles:
NC(=S)c1ncn(C2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)n1Aglycone:
COS(N)(=O)=O.NC(=S)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.36 | Num_heavy_atoms: | 21 |
| TPSA: | 175.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD06664
Formula: C3H3N4S
Smiles:
NC(=S)C1=N[N]C=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.15 | Num_heavy_atoms: | 8 |
| TPSA: | 64.84 | NumAromaticRings: | 0 |
