Glycoside
...
GD095400

Name:
None

Formula:
C19H20O10N5F

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-n3cc(F)c(=O)nc3N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc(=O)c(F)cn1-c1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: -1.87 Num_rotatable_bonds: 6
MolWt: 497.39 Num_heavy_atoms: 35
TPSA: 203.9 NumAromaticRings: 2

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
AD40723
Formula: C8H6O3N5F

Smiles:
Nc1nc(=O)c(F)cn1-c1c[nH]c(=O)[nH]c1=O
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -1.67 Num_rotatable_bonds: 1
MolWt: 239.17 Num_heavy_atoms: 17
TPSA: 126.63 NumAromaticRings: 2

Sugarmoiety
SD00105

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