Glycoside
GD106603
Name:
methyl 4'-(1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C30H32O14Smiles:
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]1C=C[C@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 616.57 | Num_heavy_atoms: | 44 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00767
Formula: C24H22O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 33 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
