Glycoside
...
GD008304

Name:
None

Formula:
C23H22O7N2Cl2

Smiles:
O=C(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12

Aglycone:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12

Sugarmoiety:
OCC(O)C(O)C(OO)C(O)CO

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.33
AlogP: 0.98 Num_rotatable_bonds: 9
MolWt: 485.32 Num_heavy_atoms: 32
TPSA: 145.27 NumAromaticRings: 3

Unique Aglycone
AD06524
Formula: C17H10ON2Cl2

Smiles:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 4.2 Num_rotatable_bonds: 3
MolWt: 305.16 Num_heavy_atoms: 20
TPSA: 34.89 NumAromaticRings: 3

Sugarmoiety
SD00527

OCC(O)C(O)C(OO)C(O)CO