Glycoside
...
GD033770

Name:
None

Formula:
C25H29O12N

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)CC2(O)C(=O)Nc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)CC1(O)C(=O)Nc2ccccc21.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: 0.3 Num_rotatable_bonds: 9
MolWt: 535.5 Num_heavy_atoms: 38
TPSA: 180.83 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
AD21531
Formula: C11H11O3N

Smiles:
CC(=O)CC1(O)C(=O)Nc2ccccc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 0.81 Num_rotatable_bonds: 2
MolWt: 205.21 Num_heavy_atoms: 15
TPSA: 66.4 NumAromaticRings: 1

Sugarmoiety
SD00012

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