Glycoside
GD106337
Name:
Methyl JasminosideFormula:
C27H32O13Smiles:
COC(=O)C[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C1=C\COC(=O)/C=C/c1ccccc1Aglycone:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 187.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD44151
Formula: C21H22O8
Smiles:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOC(=O)C=Cc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 108.36 | NumAromaticRings: | 1 |
