Glycoside
GD025842
Name:
CHLORAJAPOSIDEFormula:
C21H28O8Smiles:
C=C1[C@H]2CC3=C(C)C(=O)O[C@@]3(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@@]2(C)[C@@H]2C[C@@H]12Aglycone:
C=C1C2CC2C2(C)CC3(O)OC(=O)C(C)=C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD17096
Formula: C15H18O3
Smiles:
C=C1C2CC2C2(C)CC3(O)OC(=O)C(C)=C3CC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
