Glycoside
...
GD028151

Name:
None

Formula:
C20H21O8N4SBr

Smiles:
CC(=O)OC1COC(N2C(=O)C(=NNC(N)=S)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
NC(=S)NN=C1C(=O)Nc2ccc(Br)cc21

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 0.48 Num_rotatable_bonds: 5
MolWt: 557.38 Num_heavy_atoms: 34
TPSA: 158.85 NumAromaticRings: 1

Unique Aglycone
AD17602
Formula: C9H7ON4SBr

Smiles:
NC(=S)NN=C1C(=O)Nc2ccc(Br)cc21
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 0.94 Num_rotatable_bonds: 1
MolWt: 299.15 Num_heavy_atoms: 16
TPSA: 79.51 NumAromaticRings: 1

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O