Glycoside
...
GD029452

Name:
None

Formula:
C35H42O12N4

Smiles:
[N-]=[N+]=NCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3ccc(Oc4ccccc4)cc3)[C@H]2O)[C@H](O)[C@H]1NC(=O)c1ccccc1

Aglycone:
NC(=O)c1ccccc1.OCc1ccc(Oc2ccccc2)cc1.[N-]=[N+]=NCCCO

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.46
AlogP: 1.78 Num_rotatable_bonds: 16
MolWt: 710.74 Num_heavy_atoms: 51
TPSA: 234.39 NumAromaticRings: 3

Unique Aglycone
AD01413
Formula: C7H7ON

Smiles:
NC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.79 Num_rotatable_bonds: 1
MolWt: 121.14 Num_heavy_atoms: 9
TPSA: 43.09 NumAromaticRings: 1
AD09348
Formula: C3H7ON3

Smiles:
[N-]=[N+]=NCCCO
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.68 Num_rotatable_bonds: 3
MolWt: 101.11 Num_heavy_atoms: 7
TPSA: 68.99 NumAromaticRings: 0
AD13907
Formula: C13H12O2

Smiles:
OCc1ccc(Oc2ccccc2)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 2.97 Num_rotatable_bonds: 3
MolWt: 200.24 Num_heavy_atoms: 15
TPSA: 29.46 NumAromaticRings: 2

Sugarmoiety
SD00078

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O