Glycoside
...
GD034712

Name:
None

Formula:
C19H32O7N4

Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNCc3ccccc3O)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1O

Aglycone:
CNCc1ccccc1O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 12 FractionCSP3: 0.68
AlogP: -3.58 Num_rotatable_bonds: 6
MolWt: 428.49 Num_heavy_atoms: 30
TPSA: 209.7 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
AD07956
Formula: C8H11ON

Smiles:
CNCc1ccccc1O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.11 Num_rotatable_bonds: 2
MolWt: 137.18 Num_heavy_atoms: 10
TPSA: 32.26 NumAromaticRings: 1

Sugarmoiety
SD00266

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