Glycoside
GD036711
Name:
NoneFormula:
C31H33O10N2F3Smiles:
O=C(O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4C4CC4)CC3)OC2=O)cc1Aglycone:
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4C4CC4)CC3)OC2=O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.6 | Num_heavy_atoms: | 46 |
| TPSA: | 166.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD23158
Formula: C25H25O4N2F3
Smiles:
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4C4CC4)CC3)OC2=O)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.48 | Num_heavy_atoms: | 34 |
| TPSA: | 70.08 | NumAromaticRings: | 2 |
