Glycoside
GD133159
Name:
3-butylidene-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3-dihydro-2-benzofuran-1-oneFormula:
C18H22O8Smiles:
CCCC=C1OC(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21Aglycone:
CCCC=C1OC(=O)c2c(O)cccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD47094
Formula: C12H12O3
Smiles:
CCCC=C1OC(=O)c2c(O)cccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.22 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
