Glycoside
...
GD077368

Name:
None

Formula:
C19H22O5N2S

Smiles:
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1

Aglycone:
c1ccc(C2=NN(c3ccccc3)CS2)cc1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.32
AlogP: 0.36 Num_rotatable_bonds: 7
MolWt: 390.46 Num_heavy_atoms: 27
TPSA: 116.75 NumAromaticRings: 2

Unique Aglycone
AD10065
Formula: C14H12N2S

Smiles:
c1ccc(C2=NN(c3ccccc3)CS2)cc1
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 3.56 Num_rotatable_bonds: 2
MolWt: 240.33 Num_heavy_atoms: 17
TPSA: 15.6 NumAromaticRings: 2

Sugarmoiety
SD00084

OCC(O)C(O)C(O)C(O)O