Glycoside
GD153836
Name:
(11e,13e)â€16â€ethylâ€4,6,7â€trihydroxyâ€15â€{[(5†hydroxyâ€3,4â€dimethoxyâ€6â€methyloxanâ€2†yl)oxy]methyl}â€5,9,13â€trimethylâ€1â€oxacyclohexadeca†11,13â€dieneâ€2,10â€dioneFormula:
C29H48O11Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 572.69 | Num_heavy_atoms: | 40 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61150
Formula: C21H34O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
