Glycoside
...
GD072000

Name:
None

Formula:
C12H22O9N4S

Smiles:
Cc1nc(C)n(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1

Aglycone:
COS(O)(O)O.Cc1nc(C)n(CC(N)=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.75
AlogP: -2.03 Num_rotatable_bonds: 6
MolWt: 398.39 Num_heavy_atoms: 26
TPSA: 199.65 NumAromaticRings: 1

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
AD26214
Formula: C6H10ON4

Smiles:
Cc1nc(C)n(CC(N)=O)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: -0.62 Num_rotatable_bonds: 2
MolWt: 154.17 Num_heavy_atoms: 11
TPSA: 73.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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