Glycoside
GD138603
Name:
2-{3-[1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-2,6-dimethoxy-4-propylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H40O11Smiles:
CCCc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1C(CC)c1cc(OC)c(O)c(OC)c1Aglycone:
CCCc1cc(OC)c(O)c(OC)c1C(CC)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD55931
Formula: C22H30O6
Smiles:
CCCc1cc(OC)c(O)c(OC)c1C(CC)c1cc(OC)c(O)c(OC)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
