Glycoside
...
GD112797

Name:
None

Formula:
C28H19O9NF6

Smiles:
COC(=O)c1ccccc1NC(=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:
COC(=O)c1ccccc1N.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: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.18
AlogP: 4.99 Num_rotatable_bonds: 9
MolWt: 627.45 Num_heavy_atoms: 44
TPSA: 145.3 NumAromaticRings: 3

Unique Aglycone
AD25269
Formula: C8H9O2N

Smiles:
COC(=O)c1ccccc1N
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.06 Num_rotatable_bonds: 1
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 52.32 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