Glycoside
...
GD089817

Name:
None

Formula:
C13H17O8N4ClS2

Smiles:
Cc1nc2c(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nc(Cl)nc2s1

Aglycone:
COS(O)(O)O.Cc1nc2c(N)nc(Cl)nc2s1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: 0.42 Num_rotatable_bonds: 5
MolWt: 444.88 Num_heavy_atoms: 27
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
AD32922
Formula: C7H5N4ClS

Smiles:
Cc1nc2c(N)nc(Cl)nc2s1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.63 Num_rotatable_bonds: 0
MolWt: 200.65 Num_heavy_atoms: 12
TPSA: 64.69 NumAromaticRings: 2

Sugarmoiety
SD00017

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