Glycoside
...
GD012936

Name:
None

Formula:
C17H19O5N5S

Smiles:
OCC1OC(n2cnc3c(SCc4ccccc4)nc(NO)nc32)C(O)C1O

Aglycone:
ONc1nc2c(c(SCc3ccccc3)n1)N=C[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 0.53 Num_rotatable_bonds: 6
MolWt: 405.44 Num_heavy_atoms: 28
TPSA: 145.78 NumAromaticRings: 3

Unique Aglycone
AD09711
Formula: C12H10ON5S

Smiles:
ONc1nc2c(c(SCc3ccccc3)n1)N=C[N]2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 2.48 Num_rotatable_bonds: 4
MolWt: 272.31 Num_heavy_atoms: 19
TPSA: 84.5 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O