Glycoside
GD098651
Name:
NoneFormula:
C17H23O10N2F3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)NCC(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)NCC(F)(F)FSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.37 | Num_heavy_atoms: | 32 |
| TPSA: | 155.56 | NumAromaticRings: | 0 |
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 |
AD41960
Formula: C3H5ON2F3
Smiles:
NC(=O)NCC(F)(F)F| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.08 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
