Glycoside
...
GD135622

Name:
6-hydroxydelphinidin 3-(6-malonylglucoside)

Formula:
C24H25O16

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=Cc3c(cc(O)c(O)c3O)OC2c2cc(O)c(O)c([OH2+])c2)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.OC1=Cc2c(cc(O)c(O)c2O)OC1c1cc(O)c(O)c([OH2+])c1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 11 FractionCSP3: 0.33
AlogP: -1.03 Num_rotatable_bonds: 7
MolWt: 569.45 Num_heavy_atoms: 40
TPSA: 276.03 NumAromaticRings: 2

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
AD47163
Formula: C15H13O8

Smiles:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1cc(O)c(O)c([OH2+])c1
HBA: 8 RingCount: 3
HBD: 8 FractionCSP3: 0.07
AlogP: 1.69 Num_rotatable_bonds: 1
MolWt: 321.26 Num_heavy_atoms: 23
TPSA: 153.51 NumAromaticRings: 2

Sugarmoiety
SD00017

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