Glycoside
...
GD033237

Name:
None

Formula:
C28H45O17N5F2

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)CF)O2)[C@@H]1O

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

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

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 10 FractionCSP3: 0.89
AlogP: -4.4 Num_rotatable_bonds: 17
MolWt: 761.68 Num_heavy_atoms: 52
TPSA: 341.25 NumAromaticRings: 0

Unique Aglycone
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
AD21232
Formula: C11H18O8NF

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CF
HBA: 9 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -2.89 Num_rotatable_bonds: 5
MolWt: 311.26 Num_heavy_atoms: 21
TPSA: 156.55 NumAromaticRings: 0

Sugarmoiety
SD02958

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