Glycoside
...
GD099773

Name:
None

Formula:
C22H27O12N

Smiles:
COc1cc(C(=O)O)ccc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O

Aglycone:
COC(C)=O.COc1cc(C(=O)O)ccc1O

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.43 Num_rotatable_bonds: 9
MolWt: 497.45 Num_heavy_atoms: 35
TPSA: 172.99 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
AD08832
Formula: C8H8O4

Smiles:
COc1cc(C(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.1 Num_rotatable_bonds: 2
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O