Glycoside
...
GD090680

Name:
None

Formula:
C17H22O6N3Br

Smiles:
CC(C)n1ncc2c(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(Br)cc21

Aglycone:
CC(C)n1ncc2c(C(N)=O)cc(Br)cc21

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.53
AlogP: -0.09 Num_rotatable_bonds: 4
MolWt: 444.28 Num_heavy_atoms: 27
TPSA: 137.07 NumAromaticRings: 2

Unique Aglycone
AD39463
Formula: C11H12ON3Br

Smiles:
CC(C)n1ncc2c(C(N)=O)cc(Br)cc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 2.48 Num_rotatable_bonds: 2
MolWt: 282.14 Num_heavy_atoms: 16
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00003

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