Glycoside
...
GD024721

Name:
None

Formula:
C24H43O9N9

Smiles:
Nc1ccn(CC(=O)NCCCC[C@H](N)C(=O)NC[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)c(=O)n1

Aglycone:
CNC(=O)C(N)CCCCNC(=O)Cn1ccc(N)nc1=O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 16 FractionCSP3: 0.75
AlogP: -6.51 Num_rotatable_bonds: 12
MolWt: 601.66 Num_heavy_atoms: 42
TPSA: 322.57 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
AD16473
Formula: C13H22O3N6

Smiles:
CNC(=O)C(N)CCCCNC(=O)Cn1ccc(N)nc1=O
HBA: 9 RingCount: 1
HBD: 6 FractionCSP3: 0.54
AlogP: -1.81 Num_rotatable_bonds: 8
MolWt: 310.36 Num_heavy_atoms: 22
TPSA: 145.13 NumAromaticRings: 1

Sugarmoiety
SD00266

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