Glycoside
GD004370
Name:
NoneFormula:
C19H28O8F3SSmiles:
OC[C@H](O)[C@H](O)[C@H](OCc1cccc(C(F)(F)F)c1)[C@H](O)C[S+]1C[C@H](O)[C@H](O)[C@H]1COAglycone:
C[S+]1CC(O)C(O)C1CO.Cc1cccc(C(F)(F)F)c1Sugarmoiety:
OCC(O)C(O)C(OO)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 473.49 | Num_heavy_atoms: | 31 |
| TPSA: | 150.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD02012
Formula: C6H13O3S
Smiles:
C[S+]1CC(O)C(O)C1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD03826
Formula: C8H7F3
Smiles:
Cc1cccc(C(F)(F)F)c1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.14 | Num_heavy_atoms: | 11 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
