Glycoside
...
GD034618

Name:
None

Formula:
C28H46O18N5F

Smiles:
CC(=O)N[C@@H]1[C@H](OCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CF)[C@@H](O)[C@@H](O[C@]2(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O

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

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

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 11 FractionCSP3: 0.89
AlogP: -5.38 Num_rotatable_bonds: 17
MolWt: 759.69 Num_heavy_atoms: 52
TPSA: 361.48 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
AD09348
Formula: C3H7ON3

Smiles:
[N-]=[N+]=NCCCO
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.68 Num_rotatable_bonds: 3
MolWt: 101.11 Num_heavy_atoms: 7
TPSA: 68.99 NumAromaticRings: 0

Sugarmoiety
SD02958

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CF)C(O)C(O)C1O