Glycoside
...
GD099957

Name:
None

Formula:
C20H23O9N3S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2ncc3cnccn23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1ncc2cnccn12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 0.9 Num_rotatable_bonds: 7
MolWt: 481.48 Num_heavy_atoms: 33
TPSA: 144.62 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
AD42328
Formula: C6H5N3S

Smiles:
Sc1ncc2cnccn12
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.02 Num_rotatable_bonds: 0
MolWt: 151.19 Num_heavy_atoms: 10
TPSA: 30.19 NumAromaticRings: 2

Sugarmoiety
SD00012

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