Glycoside
...
GD026498

Name:
None

Formula:
C27H26O14

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@H](O)[C@H](O)[C@H]4OC(C)=O)cc3o2)cc1

Aglycone:
COC(=O)CC(=O)O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 4 FractionCSP3: 0.33
AlogP: 0.95 Num_rotatable_bonds: 9
MolWt: 574.49 Num_heavy_atoms: 41
TPSA: 208.49 NumAromaticRings: 3

Unique Aglycone
AD02166
Formula: C16H12O5

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 2.88 Num_rotatable_bonds: 2
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 79.9 NumAromaticRings: 3
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00776

CC(=O)OC1C(O)OC(O)C(O)C1O