Glycoside
GD107642
Name:
NoneFormula:
C24H22O10N2F4SSmiles:
C[C@](CS(=O)(=O)c1ccc(F)cc1)(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1Aglycone:
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.5 | Num_heavy_atoms: | 41 |
| TPSA: | 203.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD44334
Formula: C18H14O4N2F4S
Smiles:
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.38 | Num_heavy_atoms: | 29 |
| TPSA: | 107.26 | NumAromaticRings: | 2 |
