Glycoside
...
GD082696

Name:
None

Formula:
C13H17O8N4ClS

Smiles:
Cc1nc(Cl)nc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C#N

Aglycone:
COS(O)(O)O.Cc1nc(Cl)nc(N)c1C#N

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -0.32 Num_rotatable_bonds: 5
MolWt: 412.81 Num_heavy_atoms: 26
TPSA: 201.44 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
AD29224
Formula: C7H5N4Cl

Smiles:
Cc1nc(Cl)nc(N)c1C#N
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.89 Num_rotatable_bonds: 0
MolWt: 168.59 Num_heavy_atoms: 11
TPSA: 75.59 NumAromaticRings: 1

Sugarmoiety
SD00017

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