Glycoside
...
GD012659

Name:
None

Formula:
C21H20O9NCl

Smiles:
O=C(CC(=O)c1cc(Cl)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1cccnc1

Aglycone:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1cccnc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.35
AlogP: 0.07 Num_rotatable_bonds: 7
MolWt: 453.83 Num_heavy_atoms: 31
TPSA: 166.64 NumAromaticRings: 2

Unique Aglycone
AD09525
Formula: C15H10O4NCl

Smiles:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1cccnc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.6 Num_rotatable_bonds: 4
MolWt: 291.69 Num_heavy_atoms: 20
TPSA: 87.49 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O