Glycoside
...
GD099481

Name:
None

Formula:
C22H27O11N

Smiles:
COC(=O)c1ccccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O

Aglycone:
COC(=O)c1ccccc1O.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.51 Num_rotatable_bonds: 8
MolWt: 481.45 Num_heavy_atoms: 34
TPSA: 152.76 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
AD05895
Formula: C8H8O3

Smiles:
COC(=O)c1ccccc1O
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
SD00131

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