Glycoside
...
GD090418

Name:
None

Formula:
C18H24O7NBr

Smiles:
O=C(NCC1(c2ccccc2Br)CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO

Aglycone:
NCC1(c2ccccc2Br)CCOCC1

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

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.56
AlogP: -0.74 Num_rotatable_bonds: 8
MolWt: 446.29 Num_heavy_atoms: 27
TPSA: 136.32 NumAromaticRings: 1

Unique Aglycone
AD39342
Formula: C12H16ONBr

Smiles:
NCC1(c2ccccc2Br)CCOCC1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 2.46 Num_rotatable_bonds: 2
MolWt: 270.17 Num_heavy_atoms: 15
TPSA: 35.25 NumAromaticRings: 1

Sugarmoiety
SD00818

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