Glycoside
GD134618
Name:
methyl 3-(3-hydroxy-3-methylbut-1-en-1-yl)-5-(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoateFormula:
C23H32O8Smiles:
COC(=O)c1cc(C=CC(C)(C)O)c(OC2OCC(O)C(O)C2O)c(CC=C(C)C)c1Aglycone:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(CC=C(C)C)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.5 | Num_heavy_atoms: | 31 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD48123
Formula: C18H24O4
Smiles:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(CC=C(C)C)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
