Glycoside
...
GD005840

Name:
None

Formula:
C23H24O7NClS

Smiles:
OCCOC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COCCO.Clc1ccccc1Cc1ncc(-c2ccco2)s1

Sugarmoiety:
OC1OOC(O)C(O)C1O.OCO

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.41
AlogP: 2.18 Num_rotatable_bonds: 8
MolWt: 481.95 Num_heavy_atoms: 32
TPSA: 125.41 NumAromaticRings: 3

Unique Aglycone
AD00384
Formula: C3H8O2

Smiles:
COCCO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 29.46 NumAromaticRings: 0
AD02224
Formula: C15H10ONClS

Smiles:
Clc1ccccc1Cc1ncc(-c2ccco2)s1
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 4.65 Num_rotatable_bonds: 3
MolWt: 275.76 Num_heavy_atoms: 18
TPSA: 26.03 NumAromaticRings: 3

Sugarmoiety
SD01054

OC1OOC(O)C(O)C1O.OCO