Glycoside
...
GD085574

Name:
None

Formula:
C16H18O7N4S

Smiles:
CC(=O)O[C@@H]1CO[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
S=c1[nH]cnc2c1N=C[N]2

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.81 Num_rotatable_bonds: 4
MolWt: 410.41 Num_heavy_atoms: 28
TPSA: 134.63 NumAromaticRings: 2

Unique Aglycone
AD25255
Formula: C5H3N4S

Smiles:
S=c1[nH]cnc2c1N=C[N]2
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.05 Num_rotatable_bonds: 0
MolWt: 151.17 Num_heavy_atoms: 10
TPSA: 55.14 NumAromaticRings: 1

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O