Glycoside
GD148485
Name:
Racemosic AcidFormula:
C22H28O14Smiles:
CC(=CC(=O)O)c1c(O)c(C2OC(CO)C(O)C(O)C2O)c2c(c1O)C1OC(CO)C(O)C(O)C1O2Aglycone:
CC(=CC(=O)O)c1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.45 | Num_heavy_atoms: | 36 |
| TPSA: | 247.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD59416
Formula: C16H18O9
Smiles:
CC(=CC(=O)O)c1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1O2| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.31 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
