Glycoside
...
GD019428

Name:
None

Formula:
C16H19O8N

Smiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC#N)[C@H]2O)cc1

Aglycone:
COC(=O)c1ccc(O)cc1

Sugarmoiety:
N#CCOC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: -0.8 Num_rotatable_bonds: 6
MolWt: 353.33 Num_heavy_atoms: 25
TPSA: 138.47 NumAromaticRings: 1

Unique Aglycone
AD00517
Formula: C8H8O3

Smiles:
COC(=O)c1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD02264

N#CCOC1C(O)C(O)OC(CO)C1O