Glycoside
...
GD035554

Name:
None

Formula:
C22H29O9N3

Smiles:
CCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O

Aglycone:
CCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.55
AlogP: 0.74 Num_rotatable_bonds: 11
MolWt: 479.49 Num_heavy_atoms: 34
TPSA: 177.15 NumAromaticRings: 2

Unique Aglycone
AD22490
Formula: C17H21O5N3

Smiles:
CCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.41
AlogP: 2.66 Num_rotatable_bonds: 9
MolWt: 347.37 Num_heavy_atoms: 25
TPSA: 118.09 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O