Glycoside
...
GD107871

Name:
None

Formula:
C26H30O12NF3

Smiles:
COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.58
AlogP: 1.06 Num_rotatable_bonds: 8
MolWt: 605.52 Num_heavy_atoms: 42
TPSA: 164.2 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
AD44355
Formula: C12H12O3NF3

Smiles:
COC(=O)C(O)(c1ccc2c(c1)CCN2)C(F)(F)F
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 275.23 Num_heavy_atoms: 19
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00012

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