Glycoside
GD031138
Name:
NoneFormula:
C18H19O7N6F3S2Smiles:
Nc1ncnc2c1c(SCc1ccc(OC(F)(F)F)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SCc1ccc(OC(F)(F)F)cc1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.51 | Num_heavy_atoms: | 36 |
| TPSA: | 197.93 | NumAromaticRings: | 3 |
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 |
AD20084
Formula: C13H9ON5F3S
Smiles:
Nc1ncnc2c1C(SCc1ccc(OC(F)(F)F)cc1)=N[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.31 | Num_heavy_atoms: | 23 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
