Glycoside
GD026874
Name:
NoneFormula:
C12H18O7N6S2Smiles:
Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SCCO)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.45 | Num_heavy_atoms: | 27 |
| TPSA: | 208.93 | NumAromaticRings: | 2 |
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 |
AD17694
Formula: C7H8ON5S
Smiles:
Nc1ncnc2c1C(SCCO)=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.24 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
