Glycoside
GD133030
Name:
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-oneFormula:
C15H18O9Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)OC(=O)C2Aglycone:
COc1cc(O)c2c(c1)CC(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.3 | Num_heavy_atoms: | 24 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD53855
Formula: C9H8O4
Smiles:
COc1cc(O)c2c(c1)CC(=O)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
