Glycoside
GD036632
Name:
NoneFormula:
C23H24O6N5F3Smiles:
O=C(Nc1ccc(-n2cc(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nn2)cc1)Nc1ccccc1C(F)(F)FAglycone:
O=C(Nc1ccc(-n2cc(CCO)nn2)cc1)Nc1ccccc1C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.47 | Num_heavy_atoms: | 37 |
| TPSA: | 150.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD23096
Formula: C18H16O2N5F3
Smiles:
O=C(Nc1ccc(-n2cc(CCO)nn2)cc1)Nc1ccccc1C(F)(F)F| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.35 | Num_heavy_atoms: | 28 |
| TPSA: | 92.07 | NumAromaticRings: | 3 |
