Glycoside
...
GD096629

Name:
None

Formula:
C16H17O8N3Cl2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nc3ccc(Cl)cc3nc2Cl)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc2ccc(Cl)cc2nc1Cl

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 1.31 Num_rotatable_bonds: 5
MolWt: 458.28 Num_heavy_atoms: 28
TPSA: 177.65 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
AD41086
Formula: C10H5N3Cl2

Smiles:
Nc1nc2ccc(Cl)cc2nc1Cl
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.52 Num_rotatable_bonds: 0
MolWt: 214.05 Num_heavy_atoms: 13
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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