Glycoside
GD133272
Name:
cyanidin 3-(4''-acetylglucoside)Formula:
C23H25O12Smiles:
CC(=O)OC1C(C[OH2+])OC(OC2=Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(C[OH2+])OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.44 | Num_heavy_atoms: | 35 |
| TPSA: | 198.27 | 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 |
