Glycoside
...
GD003212

Name:
None

Formula:
C22H33O8N2F

Smiles:
CCCCCC(=O)O[C@H]1[C@H](OC(=O)CCCCC)CO[C@H](OC)[C@]1(F)n1ccc(=O)[nH]c1=O

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1OCC(O)C(O)C1(O)F

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.73
AlogP: 2.15 Num_rotatable_bonds: 12
MolWt: 472.51 Num_heavy_atoms: 33
TPSA: 125.92 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00697

COC1OCC(O)C(O)C1(O)F