Glycoside
...
GD006591

Name:
None

Formula:
C24H27O9N2ClS

Smiles:
Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(-c2ccc(Cl)s2)on1

Aglycone:
Nc1c(OCCCO)cccc1OCc1cc(-c2ccc(Cl)s2)on1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.43
AlogP: 1.8 Num_rotatable_bonds: 11
MolWt: 542.99 Num_heavy_atoms: 36
TPSA: 169.89 NumAromaticRings: 3

Unique Aglycone
AD05443
Formula: C18H17O4N2ClS

Smiles:
Nc1c(OCCCO)cccc1OCc1cc(-c2ccc(Cl)s2)on1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.24
AlogP: 3.98 Num_rotatable_bonds: 8
MolWt: 380.85 Num_heavy_atoms: 25
TPSA: 90.74 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O