Glycoside
GD020709
Name:
methyl 7-(acetyloxy)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C28H34O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](OC(=O)C=Cc1ccc(O)cc1)C[C@]2(C)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(=O)C=Cc1ccc(O)cc1)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD14260
Formula: C22H24O9
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(=O)C=Cc1ccc(O)cc1)CC2(C)OC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
