Glycoside
GD121629
Name:
methyl 4'-[1-(acetyloxy)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:
C23H28O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(C)=O)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(C)=O)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48970
Formula: C17H18O8
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(C)=O)C(=O)O1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.32 | Num_heavy_atoms: | 25 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
