Glycoside
GD117763
Name:
methyl 3-ethenyl-4-{3-[3-ethyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-en-1-yl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H48O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1CCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(O)C1CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 760.74 | Num_heavy_atoms: | 53 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD46994
Formula: C22H28O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(O)C1CC| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
