Glycoside
...
GD016187

Name:
None

Formula:
C23H26O9N3ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=Cc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NN=Cc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 1.22 Num_rotatable_bonds: 8
MolWt: 543.98 Num_heavy_atoms: 36
TPSA: 150.85 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
AD11689
Formula: C9H8N3ClS

Smiles:
NC(=S)NN=Cc1ccc(Cl)cc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 213.69 Num_heavy_atoms: 13
TPSA: 50.41 NumAromaticRings: 1

Sugarmoiety
SD00012

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