Glycoside
...
GD035981

Name:
None

Formula:
C17H21O10N

Smiles:
COc1c(O)cc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]

Aglycone:
COc1c(O)cc(C=CC(C)=O)cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.47
AlogP: -0.88 Num_rotatable_bonds: 7
MolWt: 399.35 Num_heavy_atoms: 28
TPSA: 179.82 NumAromaticRings: 1

Unique Aglycone
AD22740
Formula: C11H11O5N

Smiles:
COc1c(O)cc(C=CC(C)=O)cc1[N+](=O)[O-]
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.91 Num_rotatable_bonds: 4
MolWt: 237.21 Num_heavy_atoms: 17
TPSA: 89.67 NumAromaticRings: 1

Sugarmoiety
SD00003

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