Glycoside
GD121717
Name:
methyl 5-hydroxy-7-({[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H34O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)CCc3ccc(O)c(OC)c3)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)CCc3ccc(O)c(OC)c3)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD49009
Formula: C21H24O9
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)CCc3ccc(O)c(OC)c3)=CC(O)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
