Glycoside
GD142187
Name:
3-(4,7-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acidFormula:
C19H24O11Smiles:
COc1c(CCC(=O)O)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c2occc12Aglycone:
COc1c(CCC(=O)O)c(O)c(OC)c2occc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.39 | Num_heavy_atoms: | 30 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD57227
Formula: C13H14O6
Smiles:
COc1c(CCC(=O)O)c(O)c(OC)c2occc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 266.25 | Num_heavy_atoms: | 19 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
