Glycoside
...
GD085434

Name:
None

Formula:
C16H19O6N2Br

Smiles:
CC(=O)N[C@H]1[C@H](Oc2c[nH]c3ccc(Br)cc23)O[C@H](CO)[C@@H](O)[C@@H]1O

Aglycone:
Oc1c[nH]c2ccc(Br)cc12

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.44
AlogP: 0.25 Num_rotatable_bonds: 4
MolWt: 415.24 Num_heavy_atoms: 25
TPSA: 124.04 NumAromaticRings: 2

Unique Aglycone
AD33172
Formula: C8H6ONBr

Smiles:
Oc1c[nH]c2ccc(Br)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.64 Num_rotatable_bonds: 0
MolWt: 212.05 Num_heavy_atoms: 11
TPSA: 36.02 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O