Glycoside
...
GD072414

Name:
None

Formula:
C11H16O8N4S2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ncc3ncsc3n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncc2ncsc2n1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.55
AlogP: -0.54 Num_rotatable_bonds: 5
MolWt: 396.4 Num_heavy_atoms: 25
TPSA: 190.54 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD26446
Formula: C5H4N4S

Smiles:
Nc1ncc2ncsc2n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.67 Num_rotatable_bonds: 0
MolWt: 152.18 Num_heavy_atoms: 10
TPSA: 64.69 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O