Glycoside
GD002217
Name:
COSMOSPORASIDE BFormula:
C23H40O9Smiles:
CC(=O)OC(CC(=O)C(C)CCC=C(C)C)C(C)=CCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)COAglycone:
CC=C(C)C(CC(=O)C(C)CCC=C(C)C)OC(C)=OSugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 16 |
| MolWt: | 460.56 | Num_heavy_atoms: | 32 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02142
Formula: C17H28O3
Smiles:
CC=C(C)C(CC(=O)C(C)CCC=C(C)C)OC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 280.41 | Num_heavy_atoms: | 20 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
