Glycoside
...
GD028758

Name:
None

Formula:
C18H22O7N4

Smiles:
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](O)[C@H](O)C(=O)N1CCC2(CCNC2=O)CC1

Aglycone:
Nc1ccc([N+](=O)[O-])cc1.O=C1NCCC12CCNCC2

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -0.62 Num_rotatable_bonds: 5
MolWt: 406.4 Num_heavy_atoms: 29
TPSA: 162.11 NumAromaticRings: 1

Unique Aglycone
AD05175
Formula: C8H14ON2

Smiles:
O=C1NCCC12CCNCC2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.88
AlogP: -0.12 Num_rotatable_bonds: 0
MolWt: 154.21 Num_heavy_atoms: 11
TPSA: 41.13 NumAromaticRings: 0
AD16727
Formula: C6H6O2N2

Smiles:
Nc1ccc([N+](=O)[O-])cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 138.13 Num_heavy_atoms: 10
TPSA: 69.16 NumAromaticRings: 1

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O