Glycoside
GD009136
Name:
AjugolFormula:
C15H24O9Smiles:
C[C@]1(O)C[C@H](O)[C@@H]2C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(O)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 24 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD05108
Formula: C9H14O4
Smiles:
CC1(O)CC(O)C2C=COC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
