Glycoside
...
GD106941

Name:
None

Formula:
C22H26O11NBr

Smiles:
COC(=O)CO[C@@H]1[C@H](NC(=O)c2ccc(Br)cc2)[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(=O)CO.COC(C)=O.NC(=O)c1ccc(Br)cc1

Sugarmoiety:
CC(=O)OCC1OOC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.89 Num_rotatable_bonds: 9
MolWt: 560.35 Num_heavy_atoms: 35
TPSA: 152.76 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD09952
Formula: C3H6O3

Smiles:
COC(=O)CO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.85 Num_rotatable_bonds: 1
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 46.53 NumAromaticRings: 0
AD44246
Formula: C7H6ONBr

Smiles:
NC(=O)c1ccc(Br)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 200.03 Num_heavy_atoms: 10
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD04113

CC(=O)OCC1OOC(O)C(O)C1OC(C)=O