Glycoside
...
GD113272

Name:
None

Formula:
C27H15O7NF6ClBr

Smiles:
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1

Aglycone:
Nc1ccc(Br)c(Cl)c1.O=Cc1cccc(C(F)(F)F)c1.O=Cc1cccc(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: 0.15
AlogP: 6.61 Num_rotatable_bonds: 8
MolWt: 682.75 Num_heavy_atoms: 42
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD44686
Formula: C8H5OF3

Smiles:
O=Cc1cccc(C(F)(F)F)c1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.52 Num_rotatable_bonds: 1
MolWt: 174.12 Num_heavy_atoms: 12
TPSA: 17.07 NumAromaticRings: 1
AD44791
Formula: C7H5NClBr

Smiles:
Nc1ccc(Br)c(Cl)c1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.68 Num_rotatable_bonds: 0
MolWt: 206.47 Num_heavy_atoms: 9
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00296

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