Glycoside
...
GD108420

Name:
None

Formula:
C23H27O10N4ClS

Smiles:
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21

Aglycone:
CSCn1cnc2c(Cl)ncnc21

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 0 FractionCSP3: 0.55
AlogP: 1.63 Num_rotatable_bonds: 12
MolWt: 575.0 Num_heavy_atoms: 38
TPSA: 175.1 NumAromaticRings: 2

Unique Aglycone
AD44432
Formula: C8H7N4ClS

Smiles:
CSCn1cnc2c(Cl)ncnc21
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.29
AlogP: 1.8 Num_rotatable_bonds: 2
MolWt: 214.68 Num_heavy_atoms: 13
TPSA: 43.6 NumAromaticRings: 2

Sugarmoiety
SD00291

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O