Glycoside
...
GD078915

Name:
None

Formula:
C19H18O4N3Cl

Smiles:
O[C@@H](c1cnn(-c2ccccc2)n1)[C@H](O)[C@H](O)COc1ccc(Cl)cc1

Aglycone:
Clc1ccccc1.c1ccc(-n2nccn2)cc1

Sugarmoiety:
OOCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.22
AlogP: 1.75 Num_rotatable_bonds: 7
MolWt: 375.81 Num_heavy_atoms: 26
TPSA: 100.63 NumAromaticRings: 3

Unique Aglycone
AD05614
Formula: C8H7N3

Smiles:
c1ccc(-n2nccn2)cc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.27 Num_rotatable_bonds: 1
MolWt: 145.17 Num_heavy_atoms: 11
TPSA: 30.71 NumAromaticRings: 2
AD30320
Formula: C7H5Cl

Smiles:
Clc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 2.34 Num_rotatable_bonds: 0
MolWt: 112.56 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD01759

OOCC(O)C(O)C(O)O