Glycoside
...
GD106054

Name:
None

Formula:
C23H27O9N3F

Smiles:
O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O

Aglycone:
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.52
AlogP: -2.09 Num_rotatable_bonds: 5
MolWt: 508.48 Num_heavy_atoms: 36
TPSA: 175.37 NumAromaticRings: 2

Unique Aglycone
AD44102
Formula: C17H19O3N3F

Smiles:
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.41
AlogP: 0.56 Num_rotatable_bonds: 3
MolWt: 332.36 Num_heavy_atoms: 24
TPSA: 79.15 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O