Glycoside
...
GD017767

Name:
None

Formula:
C16H17O9N2F3

Smiles:
CC(=O)OC[C@@H]1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: -0.12 Num_rotatable_bonds: 5
MolWt: 438.31 Num_heavy_atoms: 30
TPSA: 142.99 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
AD12642
Formula: C5H3O2N2F3

Smiles:
O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.08 Num_rotatable_bonds: 0
MolWt: 180.09 Num_heavy_atoms: 12
TPSA: 65.72 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O