Glycoside
GD106416
Name:
4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2-methyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)cyclopent-1-ene-1-carboxylic acidFormula:
C25H30O12Smiles:
COc1cc(/C=C/C(=O)O[C@@H]2CC(C)=C(C(=O)O)/C2=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CC(=O)OC2CC(C)=C(C(=O)O)C2=CCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD44175
Formula: C19H20O7
Smiles:
COc1cc(C=CC(=O)OC2CC(C)=C(C(=O)O)C2=CCO)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
