Glycoside
...
GD092506

Name:
None

Formula:
C20H25O10N

Smiles:
CC(=O)N[C@H]1[C@H](Oc2cccc(O)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1cccc(O)c1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.43 Num_rotatable_bonds: 7
MolWt: 439.42 Num_heavy_atoms: 31
TPSA: 146.69 NumAromaticRings: 1

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
AD10782
Formula: C6H6O2

Smiles:
Oc1cccc(O)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.1 Num_rotatable_bonds: 0
MolWt: 110.11 Num_heavy_atoms: 8
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O