Glycoside
...
GD107969

Name:
None

Formula:
C25H27O10N

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1ccc2ccccc2c1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.4
AlogP: 1.65 Num_rotatable_bonds: 7
MolWt: 501.49 Num_heavy_atoms: 36
TPSA: 143.53 NumAromaticRings: 2

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
AD00078
Formula: C11H9ON

Smiles:
NC(=O)c1ccc2ccccc2c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.94 Num_rotatable_bonds: 1
MolWt: 171.2 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O