Glycoside
...
GD036976

Name:
None

Formula:
C28H45O17N8F

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)CN=[N+]=[N-])O2)[C@@H]1O

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

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

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 10 FractionCSP3: 0.89
AlogP: -4.06 Num_rotatable_bonds: 18
MolWt: 784.71 Num_heavy_atoms: 54
TPSA: 390.01 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
AD23318
Formula: C11H18O8N4

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CN=[N+]=[N-]
HBA: 12 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -2.55 Num_rotatable_bonds: 6
MolWt: 334.29 Num_heavy_atoms: 23
TPSA: 205.31 NumAromaticRings: 0

Sugarmoiety
SD02958

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