Glycoside
GD139926
Name:
Jasuroside AFormula:
C44H64O23Smiles:
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(C)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(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 17 |
| MolWt: | 960.97 | Num_heavy_atoms: | 67 |
| TPSA: | 342.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD51942
Formula: C32H44O13
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(C)CO| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 636.69 | Num_heavy_atoms: | 45 |
| TPSA: | 184.35 | NumAromaticRings: | 0 |
