Glycoside
...
GD035807

Name:
None

Formula:
C26H23O4N4F3S

Smiles:
O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@H](O)C(=O)N1Cc2ccccc2C1

Aglycone:
NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1.c1ccc2c(c1)CNC2

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.27
AlogP: 3.05 Num_rotatable_bonds: 7
MolWt: 544.56 Num_heavy_atoms: 38
TPSA: 107.69 NumAromaticRings: 4

Unique Aglycone
AD09907
Formula: C8H9N

Smiles:
c1ccc2c(c1)CNC2
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.29 Num_rotatable_bonds: 0
MolWt: 119.17 Num_heavy_atoms: 9
TPSA: 12.03 NumAromaticRings: 1
AD16323
Formula: C14H12N3F3S

Smiles:
NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 3.62 Num_rotatable_bonds: 3
MolWt: 311.33 Num_heavy_atoms: 21
TPSA: 43.84 NumAromaticRings: 3

Sugarmoiety
SD00169

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