Glycoside
...
GD010493

Name:
None

Formula:
C25H23O12N5S

Smiles:
CC(=O)O[C@@H]1O[C@H](SC2=C(C#N)C(c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)O

Aglycone:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc([N+](=O)[O-])cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 4 FractionCSP3: 0.36
AlogP: 1.62 Num_rotatable_bonds: 8
MolWt: 617.55 Num_heavy_atoms: 43
TPSA: 263.43 NumAromaticRings: 1

Unique Aglycone
AD08098
Formula: C13H9O2N5S

Smiles:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc([N+](=O)[O-])cc1
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.08
AlogP: 1.64 Num_rotatable_bonds: 2
MolWt: 299.32 Num_heavy_atoms: 21
TPSA: 128.77 NumAromaticRings: 1

Sugarmoiety
SD01479

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