Glycoside
...
GD106795

Name:
None

Formula:
C24H29O13N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C(=O)N[C@@H](C)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.35 Num_rotatable_bonds: 10
MolWt: 539.49 Num_heavy_atoms: 38
TPSA: 190.06 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
AD44216
Formula: C10H11O4N

Smiles:
CC(NC(=O)c1ccccc1O)C(=O)O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.2
AlogP: 0.6 Num_rotatable_bonds: 3
MolWt: 209.2 Num_heavy_atoms: 15
TPSA: 86.63 NumAromaticRings: 1

Sugarmoiety
SD00012

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