Glycoside
GD106425
Name:
NoneFormula:
C28H36O12N3FSSmiles:
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 657.67 | Num_heavy_atoms: | 45 |
| TPSA: | 237.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD44178
Formula: C22H28O6N3FS
Smiles:
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.55 | Num_heavy_atoms: | 33 |
| TPSA: | 140.92 | NumAromaticRings: | 2 |
