Glycoside
...
GD023832

Name:
None

Formula:
C26H23O9N4SBr

Smiles:
CC(=O)O[C@@H]1O[C@H](Sc2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(Br)cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 2.97 Num_rotatable_bonds: 7
MolWt: 647.46 Num_heavy_atoms: 41
TPSA: 200.92 NumAromaticRings: 2

Unique Aglycone
AD15991
Formula: C13H7N4SBr

Smiles:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(Br)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.13 Num_rotatable_bonds: 1
MolWt: 331.2 Num_heavy_atoms: 19
TPSA: 86.49 NumAromaticRings: 2

Sugarmoiety
SD00257

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O