Glycoside
...
GD011111

Name:
None

Formula:
C24H25O9N3S

Smiles:
COc1ccc(-c2c(C#N)c(=O)nc(SC)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1

Aglycone:
COc1ccc(C2=C(C#N)C(=O)N=C(SC)[N]2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.84 Num_rotatable_bonds: 7
MolWt: 531.54 Num_heavy_atoms: 37
TPSA: 156.04 NumAromaticRings: 2

Unique Aglycone
AD08518
Formula: C13H10O2N3S

Smiles:
COc1ccc(C2=C(C#N)C(=O)N=C(SC)[N]2)cc1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.15
AlogP: 1.79 Num_rotatable_bonds: 2
MolWt: 272.31 Num_heavy_atoms: 19
TPSA: 76.55 NumAromaticRings: 1

Sugarmoiety
SD00194

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