Glycoside
GD067637
Name:
NoneFormula:
C15H18O6NF3Smiles:
O=C(N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1)C(F)(F)FAglycone:
NC(=O)C(F)(F)F.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.3 | Num_heavy_atoms: | 25 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01445
Formula: C2H2ONF3
Smiles:
NC(=O)C(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.04 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
