Glycoside
GD110021
Name:
NoneFormula:
C22H16O8F6Smiles:
O=C(COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1Aglycone:
CC(=O)c1ccc(C(F)(F)F)cc1.CC(=O)c1ccc(C(F)(F)F)cc1Sugarmoiety:
O=C(OO)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.35 | Num_heavy_atoms: | 36 |
| TPSA: | 127.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD22112
Formula: C9H7OF3
Smiles:
CC(=O)c1ccc(C(F)(F)F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.15 | Num_heavy_atoms: | 13 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
