Glycoside
...
GD023945

Name:
None

Formula:
C16H15O5N2ClSBr2

Smiles:
O=C(N[C@H](O)[C@H](O)[C@H](O)CO)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br

Aglycone:
NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br

Sugarmoiety:
OCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.33
AlogP: 2.01 Num_rotatable_bonds: 7
MolWt: 530.62 Num_heavy_atoms: 26
TPSA: 122.91 NumAromaticRings: 2

Unique Aglycone
AD13329
Formula: C12H7ON2ClSBr2

Smiles:
NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 4.35 Num_rotatable_bonds: 3
MolWt: 410.52 Num_heavy_atoms: 18
TPSA: 55.98 NumAromaticRings: 2

Sugarmoiety
SD00255

OCC(O)C(O)C(O)O