Glycoside
GD020098
Name:
GLAUCOROBOLONE GLUCOSIDEFormula:
C25H34O14Smiles:
CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@@H]1OC(=O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](O)[C@H](O)[C@]4(O)OC[C@@]13[C@@H]42Aglycone:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(O)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | -4.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 558.53 | Num_heavy_atoms: | 39 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD13931
Formula: C19H24O9
Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(O)C(O)C4(O)OCC13C42| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
