Glycoside
...
GD031291

Name:
None

Formula:
C29H24O9Br2

Smiles:
O=C(CBr)OCC1OC(Br)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

Aglycone:
COC(=O)CBr.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
OC1OC(Br)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 0 FractionCSP3: 0.24
AlogP: 4.72 Num_rotatable_bonds: 9
MolWt: 676.31 Num_heavy_atoms: 40
TPSA: 114.43 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD07206
Formula: C3H5O2Br

Smiles:
COC(=O)CBr
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.55 Num_rotatable_bonds: 1
MolWt: 152.98 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD03001

OC1OC(Br)C(O)C(O)C1O