Glycoside
...
GD001803

Name:
None

Formula:
C21H27O11N2Br

Smiles:
CCOC(=O)c1cc(CBr)nn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 0 FractionCSP3: 0.62
AlogP: 1.21 Num_rotatable_bonds: 9
MolWt: 563.35 Num_heavy_atoms: 35
TPSA: 158.55 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
AD01766
Formula: C7H8O2N2Br

Smiles:
CCOC(=O)C1=CC(CBr)=N[N]1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.43
AlogP: 0.8 Num_rotatable_bonds: 3
MolWt: 232.06 Num_heavy_atoms: 12
TPSA: 52.76 NumAromaticRings: 0

Sugarmoiety
SD00012

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