Glycoside
...
GD026495

Name:
None

Formula:
C21H36O8N4

Smiles:
CCOc1cccc(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)c1O

Aglycone:
CCOc1cccc(CNC)c1O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 12 FractionCSP3: 0.71
AlogP: -3.18 Num_rotatable_bonds: 8
MolWt: 472.54 Num_heavy_atoms: 33
TPSA: 218.93 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
AD17458
Formula: C10H15O2N

Smiles:
CCOc1cccc(CNC)c1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 1.51 Num_rotatable_bonds: 4
MolWt: 181.23 Num_heavy_atoms: 13
TPSA: 41.49 NumAromaticRings: 1

Sugarmoiety
SD00266

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