Glycoside
GD024995
Name:
[1S-(1Alpha,4Aalpha,7Aalpha)]-7-[(Acetyloxy)Methyl]-1-(Beta-D-Glucopyranosyloxy)-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylic AcidFormula:
C19H26O11Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=CC[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(COC(C)=O)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD16621
Formula: C13H16O6
Smiles:
COC(=O)C1=COC(O)C2C(COC(C)=O)=CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
