Glycoside
GD106388
Name:
4-(carboxymethyl)-3-(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C25H28O14Smiles:
O=C(O)C[C@H]1C(C(=O)O)=CO[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)/C1=C\COC(=O)/C=C/c1ccc(O)cc1Aglycone:
O=C(O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 229.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD44165
Formula: C19H18O9
Smiles:
O=C(O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.34 | Num_heavy_atoms: | 28 |
| TPSA: | 150.59 | NumAromaticRings: | 1 |
