Glycoside
...
GD122253

Name:
None

Formula:
C20H28O14N6S2

Smiles:
CC(=O)OC1C(O)C(CO)OC(OC(C=Nc2cnc([NH+]([O-])O)s2)C(CO)OC(O)C=Nc2cnc([NH+]([O-])O)s2)C1O

Aglycone:
[O-][NH+](O)c1ncc(N=CC(O)OC(CO)C(O)C=Nc2cnc([NH+]([O-])O)s2)s1

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 9 FractionCSP3: 0.55
AlogP: -4.04 Num_rotatable_bonds: 14
MolWt: 640.61 Num_heavy_atoms: 42
TPSA: 301.1 NumAromaticRings: 2

Unique Aglycone
AD49244
Formula: C12H16O8N6S2

Smiles:
[O-][NH+](O)c1ncc(N=CC(O)OC(CO)C(O)C=Nc2cnc([NH+]([O-])O)s2)s1
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.33
AlogP: -2.43 Num_rotatable_bonds: 10
MolWt: 436.43 Num_heavy_atoms: 28
TPSA: 215.88 NumAromaticRings: 2

Sugarmoiety
SD00752

CC(=O)OC1C(O)C(O)OC(CO)C1O