Glycoside
GD030167
Name:
NoneFormula:
C31H31O6NF3ClSmiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)CAglycone:
O=C(NCCc1ccc(O)cc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.03 | Num_heavy_atoms: | 41 |
| TPSA: | 97.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD19537
Formula: C23H17O2NF3Cl
Smiles:
O=C(NCCc1ccc(O)cc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.83 | Num_heavy_atoms: | 29 |
| TPSA: | 49.33 | NumAromaticRings: | 3 |
