Glycoside
...
GD110622

Name:
None

Formula:
C24H22O7N4S

Smiles:
CC(=O)O[C@@H]1CO[C@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 2.53 Num_rotatable_bonds: 5
MolWt: 510.53 Num_heavy_atoms: 36
TPSA: 166.66 NumAromaticRings: 2

Unique Aglycone
AD04697
Formula: C13H8N4S

Smiles:
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 2.74 Num_rotatable_bonds: 1
MolWt: 252.3 Num_heavy_atoms: 18
TPSA: 89.39 NumAromaticRings: 2

Sugarmoiety
SD00194

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