Glycoside
...
GD022089

Name:
None

Formula:
C21H26O8N6S

Smiles:
O=[N+]([O-])c1ccc(CSc2nc(N(CCO)CCO)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1

Aglycone:
O=[N+]([O-])c1ccc(CSc2nc(N(CCO)CCO)nc3c2N=C[N]3)cc1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.48
AlogP: -0.57 Num_rotatable_bonds: 11
MolWt: 522.54 Num_heavy_atoms: 36
TPSA: 200.36 NumAromaticRings: 3

Unique Aglycone
AD15017
Formula: C16H17O4N6S

Smiles:
O=[N+]([O-])c1ccc(CSc2nc(N(CCO)CCO)nc3c2N=C[N]3)cc1
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.31
AlogP: 1.38 Num_rotatable_bonds: 9
MolWt: 389.42 Num_heavy_atoms: 27
TPSA: 139.08 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O