Glycoside
...
GD012637

Name:
None

Formula:
C20H28O12N2

Smiles:
O=C(N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@](O)(CO)C[C@H](O)[C@H]1O)c1ccc([N+](=O)[O-])cc1

Aglycone:
NC(=O)c1ccc([N+](=O)[O-])cc1.OCC1(O)CC(O)C(O)C(O)C1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -3.24 Num_rotatable_bonds: 7
MolWt: 488.45 Num_heavy_atoms: 34
TPSA: 232.31 NumAromaticRings: 1

Unique Aglycone
AD03790
Formula: C7H14O5

Smiles:
OCC1(O)CC(O)C(O)C(O)C1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.41 Num_rotatable_bonds: 1
MolWt: 178.18 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0
AD09511
Formula: C7H6O3N2

Smiles:
NC(=O)c1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.69 Num_rotatable_bonds: 2
MolWt: 166.14 Num_heavy_atoms: 12
TPSA: 86.23 NumAromaticRings: 1

Sugarmoiety
SD00003

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