Glycoside
GD028545
Name:
NoneFormula:
C30H26O13F12Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3c(C(F)(F)F)cccc3C(F)(F)F)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1c(C(F)(F)F)cccc1C(F)(F)FAglycone:
COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F.COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)FSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 822.5 | Num_heavy_atoms: | 55 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD18637
Formula: C10H6O2F6
Smiles:
COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.14 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
