Glycoside
...
GD108626

Name:
None

Formula:
C31H32O14

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O

Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.45
AlogP: 1.18 Num_rotatable_bonds: 7
MolWt: 628.58 Num_heavy_atoms: 45
TPSA: 212.42 NumAromaticRings: 2

Unique Aglycone
AD01552
Formula: C21H18O9

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: 0.15 Num_rotatable_bonds: 3
MolWt: 414.37 Num_heavy_atoms: 30
TPSA: 161.59 NumAromaticRings: 2

Sugarmoiety
SD00300

CC(=O)OC1CC(O)OC(C)C1OC(C)=O