Glycoside
...
GD112722

Name:
None

Formula:
C25H16O7N2F6

Smiles:
O=C(O[C@H](C(=O)Nc1cccnc1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1

Aglycone:
Nc1cccnc1.O=Cc1cccc(C(F)(F)F)c1.O=Cc1cccc(C(F)(F)F)c1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.16
AlogP: 4.59 Num_rotatable_bonds: 8
MolWt: 570.4 Num_heavy_atoms: 40
TPSA: 131.89 NumAromaticRings: 3

Unique Aglycone
AD40394
Formula: C5H6N2

Smiles:
Nc1cccnc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.66 Num_rotatable_bonds: 0
MolWt: 94.12 Num_heavy_atoms: 7
TPSA: 38.91 NumAromaticRings: 1
AD44686
Formula: C8H5OF3

Smiles:
O=Cc1cccc(C(F)(F)F)c1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.52 Num_rotatable_bonds: 1
MolWt: 174.12 Num_heavy_atoms: 12
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O