Glycoside
...
GD098172

Name:
None

Formula:
C17H24O10NF3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@@H](O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NCC(O)C(F)(F)F

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 2 FractionCSP3: 0.76
AlogP: -0.42 Num_rotatable_bonds: 8
MolWt: 459.37 Num_heavy_atoms: 31
TPSA: 146.69 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
AD41767
Formula: C3H6ONF3

Smiles:
NCC(O)C(F)(F)F
HBA: 2 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.13 Num_rotatable_bonds: 1
MolWt: 129.08 Num_heavy_atoms: 8
TPSA: 46.25 NumAromaticRings: 0

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O