Glycoside
GD149568
Name:
ethyl 3-[3-(2-hydroxyethyl)-7-[(4-methylpentyl)oxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C27H40O11Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCCC(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCCC(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 540.61 | Num_heavy_atoms: | 38 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD59794
Formula: C21H30O6
Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCCC(C)C)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 378.47 | Num_heavy_atoms: | 27 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
