Glycoside
...
GD021478

Name:
None

Formula:
C19H23O10N

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](OCC(C#N)=CCO)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)c1ccc(O)c(OC)c1.N#CC(=CCO)CO

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.47
AlogP: -1.18 Num_rotatable_bonds: 8
MolWt: 425.39 Num_heavy_atoms: 30
TPSA: 178.93 NumAromaticRings: 1

Unique Aglycone
AD00095
Formula: C9H10O4

Smiles:
COC(=O)c1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 55.76 NumAromaticRings: 1
AD14685
Formula: C5H7O2N

Smiles:
N#CC(=CCO)CO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.4
AlogP: -0.58 Num_rotatable_bonds: 2
MolWt: 113.12 Num_heavy_atoms: 8
TPSA: 64.25 NumAromaticRings: 0

Sugarmoiety
SD00017

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