Glycoside
GD134114
Name:
4a-hydroxy-7-{[3-(4-methoxyphenyl)prop-2-enoyl]oxy}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C25H30O13Smiles:
COc1ccc(C=CC(=O)OC2CCC3(O)C(C(=O)O)=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1Aglycone:
COc1ccc(C=CC(=O)OC2CCC3(O)C(C(=O)O)=COC(O)C23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD54260
Formula: C19H20O8
Smiles:
COc1ccc(C=CC(=O)OC2CCC3(O)C(C(=O)O)=COC(O)C23)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
