Glycoside
...
GD025390

Name:
None

Formula:
C34H40O6N4Br2

Smiles:
CC(C)(C)c1ccc(-c2nnc([C@@H](OCC=CBr)[C@@H](O)[C@@H](O)[C@@H](OCC=CBr)c3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1

Aglycone:
CC(C)(C)c1ccc(-c2nnco2)cc1.CC(C)(C)c1ccc(-c2nnco2)cc1

Sugarmoiety:
OC(OCC=CBr)C(O)C(O)C(O)OCC=CBr

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.41
AlogP: 7.74 Num_rotatable_bonds: 13
MolWt: 760.52 Num_heavy_atoms: 46
TPSA: 136.76 NumAromaticRings: 4

Unique Aglycone
AD16840
Formula: C12H14ON2

Smiles:
CC(C)(C)c1ccc(-c2nnco2)cc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: 3.03 Num_rotatable_bonds: 1
MolWt: 202.26 Num_heavy_atoms: 15
TPSA: 38.92 NumAromaticRings: 2

Sugarmoiety
SD02642

OC(OCC=CBr)C(O)C(O)C(O)OCC=CBr