Glycoside
GD098313
Name:
NoneFormula:
C18H22O6N4FBrSmiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3cc(Br)ccc3F)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2cc(Br)ccc2F)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.3 | Num_heavy_atoms: | 30 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD40027
Formula: C10H9ON3FBr
Smiles:
OCCn1cc(-c2cc(Br)ccc2F)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.1 | Num_heavy_atoms: | 16 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
