Glycoside
GD079435
Name:
NoneFormula:
C14H18O7NF3SSmiles:
O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NS(=O)(=O)Cc1cccc(C(F)(F)F)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.36 | Num_heavy_atoms: | 26 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD36320
Formula: C8H8O2NF3S
Smiles:
NS(=O)(=O)Cc1cccc(C(F)(F)F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.22 | Num_heavy_atoms: | 15 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
