Glycoside
GD133541
Name:
methyl 4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-[(3-methylbut-2-en-1-yl)oxy]benzoateFormula:
C18H24O8Smiles:
COC(=O)c1ccc(OC2OC(CO)C(O)C2O)c(OCC=C(C)C)c1Aglycone:
COC(=O)c1ccc(O)c(OCC=C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.38 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD54044
Formula: C13H16O4
Smiles:
COC(=O)c1ccc(O)c(OCC=C(C)C)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
