Glycoside
GD135957
Name:
2-[4-hydroxy-2-(hydroxymethyl)-3-propylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H24O8Smiles:
CCCc1c(O)ccc(OC2OC(CO)C(O)C(O)C2O)c1COAglycone:
CCCc1c(O)ccc(O)c1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD54961
Formula: C10H14O3
Smiles:
CCCc1c(O)ccc(O)c1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
