Glycoside
...
GD025773

Name:
None

Formula:
C21H23O10N3S

Smiles:
CCOC(=O)c1nnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1C(=O)c1cccs1

Aglycone:
CCOC(=O)C1=C(C(=O)c2cccs2)[N]N=N1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 1.07 Num_rotatable_bonds: 9
MolWt: 509.49 Num_heavy_atoms: 35
TPSA: 162.21 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17049
Formula: C10H8O3N3S

Smiles:
CCOC(=O)C1=C(C(=O)c2cccs2)[N]N=N1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 1.69 Num_rotatable_bonds: 4
MolWt: 250.26 Num_heavy_atoms: 17
TPSA: 82.19 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O