Glycoside
GD118985
Name:
methyl 3-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoateFormula:
C18H22O9Smiles:
COC(=O)CCc1cc2ccoc2cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CCc1cc2ccoc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD47618
Formula: C12H12O4
Smiles:
COC(=O)CCc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
