Glycoside
GD001395
Name:
NoneFormula:
C16H17O6NF2Smiles:
O=C1N([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=CC(O)(c2ccccc2)C1(F)FAglycone:
O=C1NC=CC(O)(c2ccccc2)C1(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.31 | Num_heavy_atoms: | 25 |
| TPSA: | 110.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD01407
Formula: C11H9O2NF2
Smiles:
O=C1NC=CC(O)(c2ccccc2)C1(F)F| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 225.19 | Num_heavy_atoms: | 16 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
