Glycoside
GD117173
Name:
Aquilegioside IFormula:
C47H74O18Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=OAglycone:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)OC1=OSugarmoiety:
OCC1OC(OCC2OC(OC3C(O)OCC(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 927.09 | Num_heavy_atoms: | 65 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46675
Formula: C30H46O4
Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)OC1=O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
