Glycoside
...
GD113576

Name:
None

Formula:
C29H21O9NF6

Smiles:
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c1

Aglycone:
CCOC(=O)c1cccc(N)c1.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: 0.21
AlogP: 5.38 Num_rotatable_bonds: 10
MolWt: 641.47 Num_heavy_atoms: 45
TPSA: 145.3 NumAromaticRings: 3

Unique Aglycone
AD44677
Formula: C9H11O2N

Smiles:
CCOC(=O)c1cccc(N)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 165.19 Num_heavy_atoms: 12
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