Glycoside
GD106408
Name:
6-(acetyloxy)-5-(benzoyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C25H30O13Smiles:
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H]2C(C(=O)O)=CO[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]2[C@@H]1CAglycone:
CC(=O)OC1C(C)C2C(O)OC=C(C(=O)O)C2C1OC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD44171
Formula: C19H20O8
Smiles:
CC(=O)OC1C(C)C2C(O)OC=C(C(=O)O)C2C1OC(=O)c1ccccc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
