Glycoside
...
GD110625

Name:
None

Formula:
C25H24O8N4S

Smiles:
COc1ccc(-c2c(C#N)c(N)n([C@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1

Aglycone:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 2.54 Num_rotatable_bonds: 6
MolWt: 540.55 Num_heavy_atoms: 38
TPSA: 175.89 NumAromaticRings: 2

Unique Aglycone
AD05141
Formula: C14H10ON4S

Smiles:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.75 Num_rotatable_bonds: 2
MolWt: 282.33 Num_heavy_atoms: 20
TPSA: 98.62 NumAromaticRings: 2

Sugarmoiety
SD00194

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