Glycoside
GD106397
Name:
7-{[(3-phenylprop-2-enoyl)oxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C25H28O11Smiles:
O=C(/C=C/c1ccccc1)OCC1=CC[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]12Aglycone:
O=C(C=Cc1ccccc1)OCC1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.49 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD44173
Formula: C19H18O6
Smiles:
O=C(C=Cc1ccccc1)OCC1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
