Glycoside
...
GD076533

Name:
None

Formula:
C14H17O8N3S

Smiles:
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ncc(=S)[nH]c1=O

Aglycone:
O=c1[nH]ncc(=S)[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: -0.38 Num_rotatable_bonds: 4
MolWt: 387.37 Num_heavy_atoms: 26
TPSA: 138.81 NumAromaticRings: 1

Unique Aglycone
AD35278
Formula: C3H3ON3S

Smiles:
O=c1[nH]ncc(=S)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.17 Num_rotatable_bonds: 0
MolWt: 129.14 Num_heavy_atoms: 8
TPSA: 61.54 NumAromaticRings: 1

Sugarmoiety
SD00194

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