Glycoside
...
GD035075

Name:
None

Formula:
C20H23O9N3S

Smiles:
CCOC(=O)c1nnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1cccs1

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 1.51 Num_rotatable_bonds: 8
MolWt: 481.48 Num_heavy_atoms: 33
TPSA: 145.14 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
AD22123
Formula: C9H8O2N3S

Smiles:
CCOC(=O)C1=C(c2cccs2)[N]N=N1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.22
AlogP: 1.97 Num_rotatable_bonds: 3
MolWt: 222.25 Num_heavy_atoms: 15
TPSA: 65.12 NumAromaticRings: 1

Sugarmoiety
SD00105

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