Glycoside
...
GD155923

Name:
3-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxycyclohexyl)-decahydro-1-benzopyran-1-ium-8-yl

Formula:
C25H26O14

Smiles:
COc1cc(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)ccc1O

Aglycone:
COC(=O)CC(=O)O.COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)ccc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.32
AlogP: 0.19 Num_rotatable_bonds: 8
MolWt: 550.47 Num_heavy_atoms: 39
TPSA: 225.47 NumAromaticRings: 1

Unique Aglycone
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
AD48107
Formula: C16H15O6

Smiles:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)ccc1O
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.12
AlogP: 2.36 Num_rotatable_bonds: 2
MolWt: 303.29 Num_heavy_atoms: 22
TPSA: 102.95 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O