Glycoside
...
GD013119

Name:
None

Formula:
C19H33O6N5

Smiles:
Nc1cccc(CNC[C@@H]2O[C@H](O[C@@H]3[C@H](N)C[C@H](N)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]2O)c1

Aglycone:
CNCc1cccc(N)c1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 13 FractionCSP3: 0.68
AlogP: -3.7 Num_rotatable_bonds: 6
MolWt: 427.5 Num_heavy_atoms: 30
TPSA: 215.49 NumAromaticRings: 1

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD09833
Formula: C8H12N2

Smiles:
CNCc1cccc(N)c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: 0.99 Num_rotatable_bonds: 2
MolWt: 136.2 Num_heavy_atoms: 10
TPSA: 38.05 NumAromaticRings: 1

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O