Glycoside
...
GD100269

Name:
None

Formula:
C19H24O9N3F

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(N)c(F)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cc(N)c(F)cn1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 3 FractionCSP3: 0.53
AlogP: 0.3 Num_rotatable_bonds: 7
MolWt: 457.41 Num_heavy_atoms: 32
TPSA: 165.37 NumAromaticRings: 1

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
AD42367
Formula: C5H6N3F

Smiles:
Nc1cc(N)c(F)cn1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.39 Num_rotatable_bonds: 0
MolWt: 127.12 Num_heavy_atoms: 9
TPSA: 64.93 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O