Glycoside
...
GD019827

Name:
None

Formula:
C28H28O10N3Br

Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O

Aglycone:
CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.32
AlogP: 2.3 Num_rotatable_bonds: 12
MolWt: 646.45 Num_heavy_atoms: 42
TPSA: 169.19 NumAromaticRings: 3

Unique Aglycone
AD05191
Formula: C15H12ON3Br

Smiles:
CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.07
AlogP: 3.0 Num_rotatable_bonds: 2
MolWt: 330.19 Num_heavy_atoms: 20
TPSA: 46.92 NumAromaticRings: 3

Sugarmoiety
SD00250

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)O