Glycoside
...
GD092996

Name:
None

Formula:
C22H27O9N

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.c1ccc2c(c1)CCN2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.55
AlogP: 1.13 Num_rotatable_bonds: 6
MolWt: 449.46 Num_heavy_atoms: 32
TPSA: 117.67 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
AD10196
Formula: C8H9N

Smiles:
c1ccc2c(c1)CCN2
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.65 Num_rotatable_bonds: 0
MolWt: 119.17 Num_heavy_atoms: 9
TPSA: 12.03 NumAromaticRings: 1

Sugarmoiety
SD00012

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