Glycoside
GD078576
Name:
NoneFormula:
C13H16O4N5F3SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCSC(F)(F)F)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC(F)(F)SCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.36 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD36104
Formula: C8H7N5F3S
Smiles:
FC(F)(F)SCCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
