Glycoside
...
GD096024

Name:
None

Formula:
C20H25O9N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H]([n+]2cccc(C(N)=S)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)c1ccc[nH+]c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: -0.14 Num_rotatable_bonds: 7
MolWt: 469.49 Num_heavy_atoms: 32
TPSA: 144.33 NumAromaticRings: 1

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
AD00494
Formula: C6H7N2S

Smiles:
NC(=S)c1ccc[nH+]c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.13 Num_rotatable_bonds: 1
MolWt: 139.2 Num_heavy_atoms: 9
TPSA: 40.16 NumAromaticRings: 1

Sugarmoiety
SD00012

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