Glycoside
...
GD124603

Name:
cyanidin 3-rutinoside-5,3'-diglucoside

Formula:
C39H53O25

Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4OC(C[OH2+])C(O)C(O)C4O)OC3c3ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c3)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 17 FractionCSP3: 0.64
AlogP: -6.67 Num_rotatable_bonds: 12
MolWt: 921.83 Num_heavy_atoms: 64
TPSA: 409.42 NumAromaticRings: 2

Unique Aglycone
AD44975
Formula: C15H12O6

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 2.54 Num_rotatable_bonds: 1
MolWt: 288.25 Num_heavy_atoms: 21
TPSA: 110.38 NumAromaticRings: 2

Sugarmoiety
SD06345

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O