Glycoside
...
GD016854

Name:
None

Formula:
C22H23O9N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(O)c(-c3ccccc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]ccc(O)c1-c1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 1 FractionCSP3: 0.36
AlogP: 1.54 Num_rotatable_bonds: 6
MolWt: 445.42 Num_heavy_atoms: 32
TPSA: 130.36 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
AD12083
Formula: C11H9O2N

Smiles:
O=c1[nH]ccc(O)c1-c1ccccc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.75 Num_rotatable_bonds: 1
MolWt: 187.2 Num_heavy_atoms: 14
TPSA: 53.09 NumAromaticRings: 2

Sugarmoiety
SD00105

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