Glycoside
GD102194
Name:
NoneFormula:
C20H23O7N2FSSmiles:
COc1cnc(F)c(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c1Aglycone:
COc1cnc(F)c(CC(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.48 | Num_heavy_atoms: | 31 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD43248
Formula: C14H13O2N2FS
Smiles:
COc1cnc(F)c(CC(=O)Nc2ccc(S)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.34 | Num_heavy_atoms: | 20 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
