Glycoside
...
GD028129

Name:
None

Formula:
C26H22O5N3Cl3S

Smiles:
Nc1nc(CO[C@H]2[C@H](O)[C@@H](Sc3ccc(Cl)c(Cl)c3)O[C@@H](CO)[C@H]2O)cc(-c2ccc(Cl)cc2)n1

Aglycone:
Nc1nc(CO)cc(-c2ccc(Cl)cc2)n1.Sc1ccc(Cl)c(Cl)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.3
AlogP: 3.8 Num_rotatable_bonds: 7
MolWt: 558.87 Num_heavy_atoms: 35
TPSA: 130.95 NumAromaticRings: 3

Unique Aglycone
AD18416
Formula: C12H10ON3Cl

Smiles:
Nc1nc(CO)cc(-c2ccc(Cl)cc2)n1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.09
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 235.67 Num_heavy_atoms: 16
TPSA: 72.03 NumAromaticRings: 2
AD18417
Formula: C8H4Cl2S

Smiles:
Sc1ccc(Cl)c(Cl)c1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 3.28 Num_rotatable_bonds: 0
MolWt: 179.07 Num_heavy_atoms: 9
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O