Glycoside
...
GD107303

Name:
None

Formula:
C25H32O12N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(NC(=O)OCc1ccccc1)C(N)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.52
AlogP: 0.5 Num_rotatable_bonds: 10
MolWt: 552.53 Num_heavy_atoms: 39
TPSA: 181.86 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
AD44294
Formula: C11H14O3N2

Smiles:
CC(NC(=O)OCc1ccccc1)C(N)=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.27
AlogP: 0.79 Num_rotatable_bonds: 4
MolWt: 222.24 Num_heavy_atoms: 16
TPSA: 81.42 NumAromaticRings: 1

Sugarmoiety
SD00889

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