Glycoside
...
GD003105

Name:
None

Formula:
C19H20O7N4S

Smiles:
CC(=O)OC1COC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O

Aglycone:
Cc1c(C#N)c(N)[nH]c(=S)c1C#N

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.47
AlogP: 1.18 Num_rotatable_bonds: 4
MolWt: 448.46 Num_heavy_atoms: 31
TPSA: 166.66 NumAromaticRings: 1

Unique Aglycone
AD02858
Formula: C8H6N4S

Smiles:
Cc1c(C#N)c(N)[nH]c(=S)c1C#N
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 1.38 Num_rotatable_bonds: 0
MolWt: 190.23 Num_heavy_atoms: 13
TPSA: 89.39 NumAromaticRings: 1

Sugarmoiety
SD00194

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