Glycoside
...
GD015968

Name:
None

Formula:
C39H53O14N4F13

Smiles:
CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NCCCCC(NC(=O)[C@H](O)[C@H](O)[C@H](C[C@H](O)CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

Aglycone:
CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NCCCCC([NH])C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.CC(O)CO

Sugarmoiety:
O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 2
HBD: 11 FractionCSP3: 0.74
AlogP: 0.69 Num_rotatable_bonds: 25
MolWt: 1048.84 Num_heavy_atoms: 70
TPSA: 293.67 NumAromaticRings: 1

Unique Aglycone
AD05567
Formula: C3H8O2

Smiles:
CC(O)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.64 Num_rotatable_bonds: 1
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 40.46 NumAromaticRings: 0
AD11548
Formula: C26H30O3N4F13

Smiles:
CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NCCCCC([NH])C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.65
AlogP: 6.21 Num_rotatable_bonds: 15
MolWt: 693.53 Num_heavy_atoms: 46
TPSA: 108.07 NumAromaticRings: 1

Sugarmoiety
SD01167

O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O