Glycoside
...
GD015044

Name:
None

Formula:
C23H23O6N2Cl3

Smiles:
CCCCOC[C@@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 0 FractionCSP3: 0.55
AlogP: 4.57 Num_rotatable_bonds: 8
MolWt: 493.77 Num_heavy_atoms: 31
TPSA: 88.88 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
AD03703
Formula: C5H12O

Smiles:
CCCCOC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 88.15 Num_heavy_atoms: 6
TPSA: 9.23 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O