Glycoside
...
GD026904

Name:
None

Formula:
C23H27O12N

Smiles:
CC(=O)OCC1O[C@H](Nc2ccc(C(=O)OC(C)=O)cc2)[C@H](OC(C)=O)C(OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OC(=O)c1ccc(N)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.48
AlogP: 0.88 Num_rotatable_bonds: 8
MolWt: 509.46 Num_heavy_atoms: 36
TPSA: 169.83 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
AD09474
Formula: C9H9O3N

Smiles:
CC(=O)OC(=O)c1ccc(N)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.97 Num_rotatable_bonds: 1
MolWt: 179.17 Num_heavy_atoms: 13
TPSA: 69.39 NumAromaticRings: 1

Sugarmoiety
SD00012

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