Glycoside
GD151035
Name:
7-ethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C17H24O9Smiles:
CCC1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CCC1=CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60278
Formula: C11H14O4
Smiles:
CCC1=CCC2C(C(=O)O)=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
