Glycoside
GD006048
Name:
NoneFormula:
C17H16O6N5F3SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(-c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.FC(F)(F)c1cccc(-c2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.41 | Num_heavy_atoms: | 32 |
| TPSA: | 162.68 | 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 |
AD05042
Formula: C12H6N4F3
Smiles:
FC(F)(F)c1cccc(-c2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 263.2 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
