Glycoside
GD139528
Name:
methyl 4-hydroxy-3-(3-methylbut-2-en-1-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C19H26O9Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD56263
Formula: C13H16O4
Smiles:
COC(=O)c1cc(O)c(O)c(CC=C(C)C)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
