Glycoside
...
GD109222

Name:
None

Formula:
C25H27O10NF6

Smiles:
CC(=O)OC[C@@H]1O[C@@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.OC(c1ccc2c(c1)CCN2)(C(F)(F)F)C(F)(F)F

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.6
AlogP: 2.44 Num_rotatable_bonds: 7
MolWt: 615.48 Num_heavy_atoms: 42
TPSA: 137.9 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
AD44503
Formula: C11H9ONF6

Smiles:
OC(c1ccc2c(c1)CCN2)(C(F)(F)F)C(F)(F)F
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.97 Num_rotatable_bonds: 1
MolWt: 285.19 Num_heavy_atoms: 19
TPSA: 32.26 NumAromaticRings: 1

Sugarmoiety
SD00012

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