Glycoside
...
GD021801

Name:
None

Formula:
C24H22O10N3F

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(-c3cc(-c4ccc(F)cc4)on3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(-c2cc(-c3ccc(F)cc3)on2)c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.33
AlogP: 1.32 Num_rotatable_bonds: 7
MolWt: 531.45 Num_heavy_atoms: 38
TPSA: 169.02 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD14847
Formula: C13H8O3N3F

Smiles:
O=c1[nH]cc(-c2cc(-c3ccc(F)cc3)on2)c(=O)[nH]1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 1.52 Num_rotatable_bonds: 2
MolWt: 273.22 Num_heavy_atoms: 20
TPSA: 91.75 NumAromaticRings: 3

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O