Glycoside
...
GD100900

Name:
None

Formula:
C18H21O8N2Br

Smiles:
CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c12

Aglycone:
CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(N)c12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.44
AlogP: 0.2 Num_rotatable_bonds: 4
MolWt: 473.28 Num_heavy_atoms: 29
TPSA: 150.48 NumAromaticRings: 2

Unique Aglycone
AD42634
Formula: C12H11O3N2Br

Smiles:
CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(N)c12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 2.57 Num_rotatable_bonds: 1
MolWt: 311.14 Num_heavy_atoms: 18
TPSA: 74.32 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O