Glycoside
GD137971
Name:
2-{[4a-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H22O9Smiles:
OCC1=CCC2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CCC2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55710
Formula: C9H12O4
Smiles:
OCC1=CCC2(O)C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
