Glycoside
GD146730
Name:
2-[3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H24O8Smiles:
COc1cc(CCCOC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CCCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD01568
Formula: C10H14O3
Smiles:
COc1cc(CCCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
