Glycoside
GD101564
Name:
NoneFormula:
C20H22O9N2FClSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](/N=c2\cccc(Cl)n2F)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.N=c1cccc(Cl)n1FSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.84 | Num_heavy_atoms: | 32 |
| TPSA: | 131.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25668
Formula: C6H4N2FCl
Smiles:
N=c1cccc(Cl)n1F| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.55 | Num_heavy_atoms: | 9 |
| TPSA: | 28.78 | NumAromaticRings: | 1 |
