Glycoside

GD143844
Name:
ethyl 3-{3-[3-(2-hydroxyethyl)cyclohexyl]-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C28H40O11Smiles:
CCOC(=O)CCc1cc2c(C3CCCC(CCO)C3)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CCCC(CCO)C3)coc2c(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.68 |
AlogP: | 1.77 | Num_rotatable_bonds: | 11 |
MolWt: | 552.62 | Num_heavy_atoms: | 39 |
TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD57832
Formula: C22H30O6
Smiles:
CCOC(=O)CCc1cc2c(C3CCCC(CCO)C3)coc2c(OC)c1OHBA: | 6 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.59 |
AlogP: | 4.3 | Num_rotatable_bonds: | 8 |
MolWt: | 390.48 | Num_heavy_atoms: | 28 |
TPSA: | 89.13 | NumAromaticRings: | 2 |