Glycoside
...
GD028144

Name:
None

Formula:
C16H20O8N3Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2nc(CBr)cc2C(N)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)C1=CC(CBr)=N[N]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.56
AlogP: 0.2 Num_rotatable_bonds: 7
MolWt: 462.25 Num_heavy_atoms: 28
TPSA: 149.04 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
AD06646
Formula: C5H5ON3Br

Smiles:
NC(=O)C1=CC(CBr)=N[N]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.28 Num_rotatable_bonds: 2
MolWt: 203.02 Num_heavy_atoms: 10
TPSA: 69.55 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O