Glycoside
GD139338
Name:
ethyl 3-{3-cyclohexyl-7-[(4-methylpentyl)oxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C31H46O10Smiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCCC(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCCC(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 578.7 | Num_heavy_atoms: | 41 |
| TPSA: | 148.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD56185
Formula: C25H36O5
Smiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OCCCC(C)C)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 416.56 | Num_heavy_atoms: | 30 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
