Glycoside
...
GD028884

Name:
None

Formula:
C25H43O9N11

Smiles:
Nc1nc2c(ncn2CC(=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)[nH]1

Aglycone:
CNC(=O)C(N)CCCCNC(=O)Cn1cnc2c(=O)[nH]c(N)nc21.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 17 FractionCSP3: 0.72
AlogP: -6.63 Num_rotatable_bonds: 12
MolWt: 641.69 Num_heavy_atoms: 45
TPSA: 351.25 NumAromaticRings: 2

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
AD18831
Formula: C14H22O3N8

Smiles:
CNC(=O)C(N)CCCCNC(=O)Cn1cnc2c(=O)[nH]c(N)nc21
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: -1.94 Num_rotatable_bonds: 8
MolWt: 350.38 Num_heavy_atoms: 25
TPSA: 173.81 NumAromaticRings: 2

Sugarmoiety
SD00266

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