Glycoside
GD156207
Name:
2-(5-butoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acidFormula:
C18H26O9Smiles:
CCCCOc1ccc(OC2OC(CO)C(O)C(O)C2O)c(CC(=O)O)c1Aglycone:
CCCCOc1ccc(O)c(CC(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 386.4 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD61877
Formula: C12H16O4
Smiles:
CCCCOc1ccc(O)c(CC(=O)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 224.26 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
