Glycoside
...
GD112766

Name:
None

Formula:
C27H22O7NF3

Smiles:
Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1

Aglycone:
Cc1cccc(C=O)c1.Cc1cccc(C=O)c1.Nc1cccc(C(F)(F)F)c1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 4.8 Num_rotatable_bonds: 8
MolWt: 529.47 Num_heavy_atoms: 38
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD21356
Formula: C7H6NF3

Smiles:
Nc1cccc(C(F)(F)F)c1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 2.29 Num_rotatable_bonds: 0
MolWt: 161.13 Num_heavy_atoms: 11
TPSA: 26.02 NumAromaticRings: 1
AD44026
Formula: C8H8O

Smiles:
Cc1cccc(C=O)c1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.81 Num_rotatable_bonds: 1
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O