Glycoside
GD145518
Name:
methyl 2-(3,4-dihydroxyphenyl)-4-(2-ethoxy-2-oxoethyl)-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O13Smiles:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD58410
Formula: C19H22O8
Smiles:
CC=C1C(CC(=O)OCC)C(C(=O)OC)=COC1(O)c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
