Glycoside
...
GD009360

Name:
None

Formula:
C18H21O10N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cccc(OC(C)=O)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Oc1ccc[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 0.1 Num_rotatable_bonds: 6
MolWt: 411.36 Num_heavy_atoms: 29
TPSA: 136.43 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
AD07343
Formula: C7H7O3N

Smiles:
CC(=O)Oc1ccc[nH]c1=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 0.3 Num_rotatable_bonds: 1
MolWt: 153.14 Num_heavy_atoms: 11
TPSA: 59.16 NumAromaticRings: 1

Sugarmoiety
SD00105

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