Glycoside
...
GD021910

Name:
None

Formula:
C31H44O21N3

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](NC(C)=O)[C@H](C(O)C(O)CO)O2)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1

Aglycone:
COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1.O=[N+]([O-])c1ccc(O)cc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 11 FractionCSP3: 0.71
AlogP: -7.42 Num_rotatable_bonds: 15
MolWt: 794.69 Num_heavy_atoms: 55
TPSA: 378.92 NumAromaticRings: 1

Unique Aglycone
AD00091
Formula: C6H5O3N

Smiles:
O=[N+]([O-])c1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.3 Num_rotatable_bonds: 1
MolWt: 139.11 Num_heavy_atoms: 10
TPSA: 63.37 NumAromaticRings: 1
AD01289
Formula: C12H20O9N

Smiles:
COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.83
AlogP: -4.55 Num_rotatable_bonds: 6
MolWt: 322.29 Num_heavy_atoms: 22
TPSA: 168.61 NumAromaticRings: 0

Sugarmoiety
SD00558

CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O