Glycoside
GD132227
Name:
ethyl 3-(6-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-methoxy-1-benzofuran-5-yl)propanoateFormula:
C20H26O11Smiles:
CCOC(=O)CCc1cc2ccoc2c(OC)c1OC1OC(C(O)O)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2ccoc2c(OC)c1OSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD48537
Formula: C14H16O5
Smiles:
CCOC(=O)CCc1cc2ccoc2c(OC)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
