Glycoside
...
GD089903

Name:
None

Formula:
C16H19O8N4ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nc(Cl)cc(-c3ccncc3)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc(Cl)cc(-c2ccncc2)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: 0.57 Num_rotatable_bonds: 6
MolWt: 450.86 Num_heavy_atoms: 29
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
AD32934
Formula: C10H7N4Cl

Smiles:
Nc1nc(Cl)cc(-c2ccncc2)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 1
MolWt: 206.64 Num_heavy_atoms: 14
TPSA: 64.69 NumAromaticRings: 2

Sugarmoiety
SD00017

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