Glycoside
...
GD153918

Name:
None

Formula:
C23H28O5N5F

Smiles:
O=C(CC1OC(CN=C(O)Nc2cccc([F+])c2)C(O)C1O)N1CCN(c2ccccn2)CC1

Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN=C(O)Nc1cccc([FH+])c1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.43
AlogP: 0.35 Num_rotatable_bonds: 6
MolWt: 473.51 Num_heavy_atoms: 34
TPSA: 130.75 NumAromaticRings: 2

Unique Aglycone
AD36294
Formula: C11H15ON3

Smiles:
CC(=O)N1CCN(c2ccccn2)CC1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.45
AlogP: 0.75 Num_rotatable_bonds: 1
MolWt: 205.26 Num_heavy_atoms: 15
TPSA: 36.44 NumAromaticRings: 1
AD61178
Formula: C8H10ON2F

Smiles:
CN=C(O)Nc1cccc([FH+])c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 169.18 Num_heavy_atoms: 12
TPSA: 44.62 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O