Glycoside
...
GD003644

Name:
None

Formula:
C17H13O5N2Cl2Br

Smiles:
CC(=O)OC1[C@H](OC(C)=O)CO[C@H]1n1c(Br)nc2cc(Cl)c(Cl)cc21

Aglycone:
Clc1cc2c(cc1Cl)N=C(Br)[N]2

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.4
AlogP: 3.5 Num_rotatable_bonds: 3
MolWt: 452.09 Num_heavy_atoms: 25
TPSA: 79.65 NumAromaticRings: 2

Unique Aglycone
AD01427
Formula: C9H2N2Cl2Br

Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 3.63 Num_rotatable_bonds: 0
MolWt: 264.92 Num_heavy_atoms: 12
TPSA: 26.46 NumAromaticRings: 1

Sugarmoiety
SD00759

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