Glycoside
GD008843
Name:
NoneFormula:
C18H19O6N2F3SSmiles:
O=C(NCc1cccc(C(F)(F)F)c1)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1Aglycone:
O=C(NCc1cccc(C(F)(F)F)c1)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 30 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD07012
Formula: C12H9ON2F3S
Smiles:
O=C(NCc1cccc(C(F)(F)F)c1)c1cscn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.28 | Num_heavy_atoms: | 19 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
