Glycoside
...
GD015702

Name:
None

Formula:
C24H37O8N2F

Smiles:
CCCCCC(=O)O[C@H]1[C@H](OC(=O)CCCCC)CO[C@H](OC)[C@]1(F)CCn1ccc(=O)[nH]c1=O

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCn1ccc(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.75
AlogP: 2.62 Num_rotatable_bonds: 14
MolWt: 500.56 Num_heavy_atoms: 35
TPSA: 125.92 NumAromaticRings: 1

Unique Aglycone
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
AD01138
Formula: C6H8O2N2

Smiles:
CCn1ccc(=O)[nH]c1=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: -0.44 Num_rotatable_bonds: 1
MolWt: 140.14 Num_heavy_atoms: 10
TPSA: 54.86 NumAromaticRings: 1

Sugarmoiety
SD00697

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