Glycoside
...
GD011000

Name:
None

Formula:
C24H24O7N2Cl2S

Smiles:
Cc1ccc(S(=O)(=O)NC[C@@H]2OC(O)[C@H](NC(=O)C=Cc3ccc(Cl)c(Cl)c3)[C@H](O)[C@H]2O)cc1

Aglycone:
CNS(=O)(=O)c1ccc(C)cc1.NC(=O)C=Cc1ccc(Cl)c(Cl)c1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.32
AlogP: 1.22 Num_rotatable_bonds: 7
MolWt: 531.41 Num_heavy_atoms: 34
TPSA: 145.19 NumAromaticRings: 2

Unique Aglycone
AD08435
Formula: C8H11O2NS

Smiles:
CNS(=O)(=O)c1ccc(C)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 0.9 Num_rotatable_bonds: 2
MolWt: 185.25 Num_heavy_atoms: 12
TPSA: 46.17 NumAromaticRings: 1
AD08436
Formula: C11H7ONCl2

Smiles:
NC(=O)C=Cc1ccc(Cl)c(Cl)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.49 Num_rotatable_bonds: 2
MolWt: 216.07 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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