Glycoside
...
GD013446

Name:
None

Formula:
C15H31O7N5

Smiles:
NCCC(=O)NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)CCN.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 13 FractionCSP3: 0.93
AlogP: -5.61 Num_rotatable_bonds: 6
MolWt: 393.44 Num_heavy_atoms: 27
TPSA: 232.56 NumAromaticRings: 0

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
AD10031
Formula: C4H10ON2

Smiles:
CNC(=O)CCN
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.75
AlogP: -0.92 Num_rotatable_bonds: 2
MolWt: 102.14 Num_heavy_atoms: 7
TPSA: 55.12 NumAromaticRings: 0

Sugarmoiety
SD00266

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