Glycoside
...
GD004519

Name:
None

Formula:
C21H17O9NF3Cl

Smiles:
O=C1Nc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1

Aglycone:
O=C1Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.5
AlogP: 1.34 Num_rotatable_bonds: 3
MolWt: 507.8 Num_heavy_atoms: 34
TPSA: 154.78 NumAromaticRings: 1

Unique Aglycone
AD03935
Formula: C15H9O3NF3Cl

Smiles:
O=C1Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 3.78 Num_rotatable_bonds: 0
MolWt: 331.68 Num_heavy_atoms: 22
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O