Glycoside
GD152814
Name:
7-({[3-(4-hydroxyphenyl)prop-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:
C25H28O12Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD60816
Formula: C19H18O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
