Glycoside
...
GD022064

Name:
None

Formula:
C20H19O4N2ClS

Smiles:
OC[C@@H]1OC(n2c(SCc3ccccc3)nc3ccc(Cl)cc32)[C@H](O)[C@H]1O

Aglycone:
Clc1ccc2c(c1)[N]C(SCc1ccccc1)=N2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.32
AlogP: 2.59 Num_rotatable_bonds: 5
MolWt: 406.89 Num_heavy_atoms: 27
TPSA: 87.74 NumAromaticRings: 3

Unique Aglycone
AD15002
Formula: C15H10N2ClS

Smiles:
Clc1ccc2c(c1)[N]C(SCc1ccccc1)=N2
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 4.51 Num_rotatable_bonds: 2
MolWt: 273.77 Num_heavy_atoms: 18
TPSA: 26.46 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O