Glycoside
...
GD114021

Name:
None

Formula:
C27H16O7N2F6

Smiles:
N#Cc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O

Aglycone:
N#Cc1ccccc1N.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: 0.15
AlogP: 5.07 Num_rotatable_bonds: 8
MolWt: 594.42 Num_heavy_atoms: 42
TPSA: 142.79 NumAromaticRings: 3

Unique Aglycone
AD15370
Formula: C7H6N2

Smiles:
N#Cc1ccccc1N
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.14 Num_rotatable_bonds: 0
MolWt: 118.14 Num_heavy_atoms: 9
TPSA: 49.81 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