Glycoside
GD091892
Name:
NoneFormula:
C16H22O7NF3SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.41 | Num_heavy_atoms: | 28 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD40082
Formula: C10H12O3NF3S
Smiles:
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 283.27 | Num_heavy_atoms: | 18 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
