Glycoside
...
GD009965

Name:
None

Formula:
C28H26O7NClS2

Smiles:
Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H](c3ccc(Cl)c(Cc4ncc(-c5ccco5)s4)c3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
Cc1ccc(S(C)(=O)=O)cc1.Clc1ccccc1Cc1ncc(-c2ccco2)s1

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.3
AlogP: 3.95 Num_rotatable_bonds: 7
MolWt: 576.09 Num_heavy_atoms: 38
TPSA: 130.09 NumAromaticRings: 4

Unique Aglycone
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
AD07752
Formula: C8H10O2S

Smiles:
Cc1ccc(S(C)(=O)=O)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 170.23 Num_heavy_atoms: 11
TPSA: 34.14 NumAromaticRings: 1

Sugarmoiety
SD00017

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