Glycoside
GD118823
Name:
ethyl 3-[3-(2-hydroxyethyl)-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C25H36O12Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1(O)CCCOAglycone:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC)c1OSugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 188.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD46288
Formula: C16H20O6
Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OC)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 308.33 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
