Glycoside
...
GD111872

Name:
None

Formula:
C24H18O7NI

Smiles:
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1)c1ccccc1

Aglycone:
Nc1ccc(I)cc1.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 3.77 Num_rotatable_bonds: 8
MolWt: 559.31 Num_heavy_atoms: 33
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD44392
Formula: C6H6NI

Smiles:
Nc1ccc(I)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.87 Num_rotatable_bonds: 0
MolWt: 219.03 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00296

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