Glycoside
...
GD107878

Name:
None

Formula:
C26H29O10N

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)Cc2cccc3ccccc23)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)Cc1cccc2ccccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.42
AlogP: 1.58 Num_rotatable_bonds: 8
MolWt: 515.52 Num_heavy_atoms: 37
TPSA: 143.53 NumAromaticRings: 2

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
AD44362
Formula: C12H11ON

Smiles:
NC(=O)Cc1cccc2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 185.23 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00889

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