Glycoside
...
GD116553

Name:
malvidin 3-glucoside-pyruvate

Formula:
C26H27O14

Smiles:
COc1cc(C2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1O

Aglycone:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1O

Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.35
AlogP: -0.34 Num_rotatable_bonds: 7
MolWt: 563.49 Num_heavy_atoms: 40
TPSA: 216.73 NumAromaticRings: 1

Unique Aglycone
AD46302
Formula: C20H16O9

Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1O
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.15
AlogP: 2.67 Num_rotatable_bonds: 4
MolWt: 400.34 Num_heavy_atoms: 29
TPSA: 134.91 NumAromaticRings: 1

Sugarmoiety
SD04392

OC1OC(C[OH2+])C(O)C(O)C1O