Glycoside
...
GD027136

Name:
None

Formula:
C20H17O5N2Cl3S

Smiles:
CSCC1OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1

Sugarmoiety:
CSCC1OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.47
AlogP: 4.12 Num_rotatable_bonds: 5
MolWt: 467.76 Num_heavy_atoms: 28
TPSA: 79.65 NumAromaticRings: 2

Unique Aglycone
AD01803
Formula: C10H2N2Cl3

Smiles:
ClC1=Nc2cc(Cl)c(Cl)cc2[N]1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 3.47 Num_rotatable_bonds: 0
MolWt: 220.47 Num_heavy_atoms: 12
TPSA: 26.46 NumAromaticRings: 1

Sugarmoiety
SD02540

CSCC1OC(O)C(OC(C)=O)C1OC(C)=O