Glycoside
...
GD013641

Name:
None

Formula:
C25H27O9N3S

Smiles:
CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.44
AlogP: 2.23 Num_rotatable_bonds: 8
MolWt: 545.57 Num_heavy_atoms: 38
TPSA: 156.04 NumAromaticRings: 2

Unique Aglycone
AD10146
Formula: C14H13O2N3S

Smiles:
CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.21
AlogP: 2.43 Num_rotatable_bonds: 4
MolWt: 287.34 Num_heavy_atoms: 20
TPSA: 78.77 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O