Glycoside
GD025158
Name:
NoneFormula:
C18H19O7N6F3SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.FC(F)(F)Oc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.45 | Num_heavy_atoms: | 35 |
| TPSA: | 183.94 | 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 |
AD04942
Formula: C13H9ON5F3
Smiles:
FC(F)(F)Oc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.24 | Num_heavy_atoms: | 22 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
