Glycoside
...
GD028435

Name:
None

Formula:
C20H34O8N4

Smiles:
COc1cc(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)ccc1O

Aglycone:
CNCc1ccc(O)c(OC)c1.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: 0.7
AlogP: -3.57 Num_rotatable_bonds: 7
MolWt: 458.51 Num_heavy_atoms: 32
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
AD17420
Formula: C9H13O2N

Smiles:
CNCc1ccc(O)c(OC)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.12 Num_rotatable_bonds: 3
MolWt: 167.21 Num_heavy_atoms: 12
TPSA: 41.49 NumAromaticRings: 1

Sugarmoiety
SD00266

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