Glycoside
GD154152
Name:
Picconioside IFormula:
C33H48O18Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C3C(C)CCC13)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C(C)CCC13)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 732.73 | Num_heavy_atoms: | 51 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD61264
Formula: C21H28O8
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C(C)CCC13)C2C| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
