Glycoside
...
GD103636

Name:
None

Formula:
C21H22O8NBr

Smiles:
O=C(O)Cc1cccc(C(=O)c2ccc(Br)cc2)c1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Aglycone:
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.33
AlogP: 0.52 Num_rotatable_bonds: 7
MolWt: 496.31 Num_heavy_atoms: 31
TPSA: 156.55 NumAromaticRings: 2

Unique Aglycone
AD43841
Formula: C15H12O3NBr

Smiles:
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.89 Num_rotatable_bonds: 4
MolWt: 334.17 Num_heavy_atoms: 20
TPSA: 80.39 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O