Glycoside
...
GD108316

Name:
None

Formula:
C36H42O18N2

Smiles:
COc1ccc([C@@H]2OC[C@H]3O[C@H](Oc4ccc([N+](=O)[O-])cc4)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1

Aglycone:
COC(C)=O.COc1ccc(C2OCC3OC(Oc4ccc([N+](=O)[O-])cc4)C(NC(C)=O)C(O)C3O2)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 1 FractionCSP3: 0.53
AlogP: 1.79 Num_rotatable_bonds: 13
MolWt: 790.73 Num_heavy_atoms: 56
TPSA: 242.05 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44428
Formula: C22H24O9N2

Smiles:
COc1ccc(C2OCC3OC(Oc4ccc([N+](=O)[O-])cc4)C(NC(C)=O)C(O)C3O2)cc1
HBA: 11 RingCount: 4
HBD: 2 FractionCSP3: 0.41
AlogP: 1.69 Num_rotatable_bonds: 6
MolWt: 460.44 Num_heavy_atoms: 33
TPSA: 138.62 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O