Glycoside
GD008629
Name:
Gymnoside XixFormula:
C22H32O12Smiles:
COC(=O)[C@H](O)[C@](O)(CC(C)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(O)cc1Sugarmoiety:
COC(=O)C(O)C(O)(CC(C)C)C(=O)OO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.49 | Num_heavy_atoms: | 34 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
