Glycoside
GD032403
Name:
NoneFormula:
C16H20O10NF3Smiles:
CC(=O)OC[C@@H]1OC(OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)C(F)(F)FSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.33 | Num_heavy_atoms: | 30 |
| TPSA: | 143.53 | 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 |
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 |
