Glycoside
...
GD098370

Name:
None

Formula:
C19H22O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(-c3ccc[nH]c3=O)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cccc1C1=C[N]N=N1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.47
AlogP: -0.68 Num_rotatable_bonds: 6
MolWt: 450.4 Num_heavy_atoms: 32
TPSA: 171.93 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
AD26131
Formula: C7H5ON4

Smiles:
O=c1[nH]cccc1C1=C[N]N=N1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.66 Num_rotatable_bonds: 1
MolWt: 161.14 Num_heavy_atoms: 12
TPSA: 71.68 NumAromaticRings: 1

Sugarmoiety
SD00013

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