Glycoside
...
GD113512

Name:
None

Formula:
C26H16O7NCl2I

Smiles:
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccc(I)c1)c1ccccc1Cl

Aglycone:
Nc1cccc(I)c1.O=Cc1ccccc1Cl.O=Cc1ccccc1Cl

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 5.07 Num_rotatable_bonds: 8
MolWt: 628.2 Num_heavy_atoms: 35
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD25413
Formula: C8H5OCl

Smiles:
O=Cc1ccccc1Cl
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 2.15 Num_rotatable_bonds: 1
MolWt: 140.57 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1
AD44739
Formula: C6H6NI

Smiles:
Nc1cccc(I)c1
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