Glycoside
...
GD020105

Name:
None

Formula:
C37H63O23N5

Smiles:
CC(=O)N[C@H]1[C@@H](OCCCCCCN=[N+]=[N-])O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.[N-]=[N+]=NCCCCCCO

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 4
HBD: 14 FractionCSP3: 0.92
AlogP: -6.33 Num_rotatable_bonds: 22
MolWt: 945.92 Num_heavy_atoms: 65
TPSA: 440.63 NumAromaticRings: 0

Unique Aglycone
AD00077
Formula: C11H19O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.87 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 176.78 NumAromaticRings: 0
AD05617
Formula: C6H13ON3

Smiles:
[N-]=[N+]=NCCCCCCO
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 1.85 Num_rotatable_bonds: 6
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 68.99 NumAromaticRings: 0

Sugarmoiety
SD00319

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O