Glycoside
...
GD119253

Name:
cyanidin 3-(6''-malonylglucoside)

Formula:
C24H25O14

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 9 FractionCSP3: 0.33
AlogP: -0.44 Num_rotatable_bonds: 7
MolWt: 537.45 Num_heavy_atoms: 38
TPSA: 235.57 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
AD45250
Formula: C15H13O6

Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1
HBA: 6 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 2.27 Num_rotatable_bonds: 1
MolWt: 289.26 Num_heavy_atoms: 21
TPSA: 113.05 NumAromaticRings: 2

Sugarmoiety
SD00017

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