Glycoside
GD115923
Name:
cyanidin-3-(2'-acetylrutinoside)Formula:
C29H35O16Smiles:
CC(=[OH+])OC1C(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)C(O)C(O)C2O)OC(C)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC(=[OH+])OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 639.58 | Num_heavy_atoms: | 45 |
| TPSA: | 258.85 | 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 |
