Glycoside
...
GD014041

Name:
None

Formula:
C22H22O7N5Br

Smiles:
CC(=O)Nc1nc(OCc2ccc(Br)cc2)c2ncn(C3CC(OC(C)=O)C(OC(C)=O)O3)c2n1

Aglycone:
CC(=O)Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2

Sugarmoiety:
CC(=O)OC1CC(O)OC1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.36
AlogP: 2.87 Num_rotatable_bonds: 7
MolWt: 548.35 Num_heavy_atoms: 35
TPSA: 143.76 NumAromaticRings: 3

Unique Aglycone
AD01505
Formula: C14H11O2N5Br

Smiles:
CC(=O)Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2
HBA: 7 RingCount: 3
HBD: 1 FractionCSP3: 0.14
AlogP: 2.69 Num_rotatable_bonds: 4
MolWt: 361.18 Num_heavy_atoms: 22
TPSA: 90.57 NumAromaticRings: 2

Sugarmoiety
SD01670

CC(=O)OC1CC(O)OC1OC(C)=O