Glycoside
...
GD005589

Name:
None

Formula:
C36H37O15N2Cl

Smiles:
CC(=O)Nc1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O[C@@H]3OC4CO[C@H](c5ccc([N+](=O)[O-])cc5)OC4[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1Cl

Aglycone:
CC(=O)Nc1cc(CO)ccc1Cl.COC(=O)c1ccccc1.O=[N+]([O-])c1ccc(C2OCC3OC(O)C(O)C(O)C3O2)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 5 FractionCSP3: 0.43
AlogP: 1.97 Num_rotatable_bonds: 11
MolWt: 761.13 Num_heavy_atoms: 53
TPSA: 234.84 NumAromaticRings: 3

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD01335
Formula: C10H10O2NCl

Smiles:
CC(=O)Nc1cc(CO)ccc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.79 Num_rotatable_bonds: 2
MolWt: 199.64 Num_heavy_atoms: 13
TPSA: 49.33 NumAromaticRings: 1
AD04728
Formula: C13H15O8N

Smiles:
O=[N+]([O-])c1ccc(C2OCC3OC(O)C(O)C(O)C3O2)cc1
HBA: 9 RingCount: 3
HBD: 3 FractionCSP3: 0.54
AlogP: -0.55 Num_rotatable_bonds: 2
MolWt: 313.26 Num_heavy_atoms: 22
TPSA: 131.52 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O