Glycoside
...
GD019611

Name:
None

Formula:
C21H19O6N2F3

Smiles:
N#Cc1ccc(-c2cc(C(=O)N[C@@H]3C(O)O[C@H](CO)[C@H](O)[C@H]3O)cc(C(F)(F)F)c2)cc1

Aglycone:
N#Cc1ccc(-c2cc(C(N)=O)cc(C(F)(F)F)c2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.33
AlogP: 0.77 Num_rotatable_bonds: 4
MolWt: 452.39 Num_heavy_atoms: 32
TPSA: 143.04 NumAromaticRings: 2

Unique Aglycone
AD13667
Formula: C15H9ON2F3

Smiles:
N#Cc1ccc(-c2cc(C(N)=O)cc(C(F)(F)F)c2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 3.34 Num_rotatable_bonds: 2
MolWt: 290.24 Num_heavy_atoms: 21
TPSA: 66.88 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O