Glycoside
...
GD092701

Name:
None

Formula:
C17H18O6N2ClBr

Smiles:
CC(=O)N[C@H]1[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
Oc1c[nH]c2ccc(Br)c(Cl)c12

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.44
AlogP: 0.91 Num_rotatable_bonds: 4
MolWt: 449.69 Num_heavy_atoms: 26
TPSA: 124.04 NumAromaticRings: 2

Unique Aglycone
AD08346
Formula: C9H5ONClBr

Smiles:
Oc1c[nH]c2ccc(Br)c(Cl)c12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.29 Num_rotatable_bonds: 0
MolWt: 246.49 Num_heavy_atoms: 12
TPSA: 36.02 NumAromaticRings: 2

Sugarmoiety
SD00014

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