Glycoside
GD132969
Name:
ethyl 3-[7-(cyclohexyloxy)-3-(2-hydroxyethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C27H38O11Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC2CCCCC2)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC2CCCCC2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD53830
Formula: C21H28O6
Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC2CCCCC2)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
