Glycoside
...
GD005986

Name:
None

Formula:
C22H22O7NClS2

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

Aglycone:
CS(C)(=O)=O.Clc1ccccc1Cc1ncc(-c2ccco2)s1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.38
AlogP: 2.21 Num_rotatable_bonds: 6
MolWt: 499.99 Num_heavy_atoms: 32
TPSA: 130.09 NumAromaticRings: 3

Unique Aglycone
AD00116
Formula: C2H6O2S

Smiles:
CS(C)(=O)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.34 Num_rotatable_bonds: 0
MolWt: 94.13 Num_heavy_atoms: 5
TPSA: 34.14 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
SD00017

OC1OC(O)C(O)C(O)C1O