Glycoside
GD019422
Name:
Jasuroside CFormula:
C44H64O24Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)CC1C(CO)COAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 18 |
| MolWt: | 976.97 | Num_heavy_atoms: | 68 |
| TPSA: | 362.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD13558
Formula: C32H44O14
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(CO)CO| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 652.69 | Num_heavy_atoms: | 46 |
| TPSA: | 204.58 | NumAromaticRings: | 0 |
