Glycoside
...
GD098144

Name:
None

Formula:
C17H20O7N3Br

Smiles:
O=C(c1nc(-c2cc(Br)cc(N3CCOCC3)c2)no1)[C@H](O)[C@@H](O)[C@@H](O)CO

Aglycone:
Brc1cc(-c2ncon2)cc(N2CCOCC2)c1

Sugarmoiety:
O=C(O)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.47
AlogP: -0.41 Num_rotatable_bonds: 7
MolWt: 458.27 Num_heavy_atoms: 28
TPSA: 149.38 NumAromaticRings: 2

Unique Aglycone
AD41752
Formula: C12H12O2N3Br

Smiles:
Brc1cc(-c2ncon2)cc(N2CCOCC2)c1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.33
AlogP: 2.34 Num_rotatable_bonds: 2
MolWt: 310.15 Num_heavy_atoms: 18
TPSA: 51.39 NumAromaticRings: 2

Sugarmoiety
SD01368

O=C(O)C(O)C(O)C(O)CO