Glycoside
...
GD092959

Name:
None

Formula:
C20H22O9NCl

Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1

Aglycone:
Nc1ccc(Cl)cc1

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 1.64 Num_rotatable_bonds: 9
MolWt: 443.84 Num_heavy_atoms: 30
TPSA: 134.3 NumAromaticRings: 1

Unique Aglycone
AD14793
Formula: C7H6NCl

Smiles:
Nc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.92 Num_rotatable_bonds: 0
MolWt: 127.57 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00250

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)O