Glycoside
GD101993
Name:
NoneFormula:
C15H19O7NF3SBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.28 | Num_heavy_atoms: | 28 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD43185
Formula: C9H9O3NF3SBr
Smiles:
O=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.14 | Num_heavy_atoms: | 18 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
