Glycoside
...
GD087582

Name:
None

Formula:
C13H18O8N3ClS2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nc(Cl)nc3c2SCC3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc(Cl)nc2c1SCC2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 0.15 Num_rotatable_bonds: 5
MolWt: 431.88 Num_heavy_atoms: 26
TPSA: 177.65 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
AD27759
Formula: C7H6N3ClS

Smiles:
Nc1nc(Cl)nc2c1SCC2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.36 Num_rotatable_bonds: 0
MolWt: 187.65 Num_heavy_atoms: 11
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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