Glycoside
GD139429
Name:
3-hexyl-6-(4-methylpentyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-pyran-2-oneFormula:
C23H38O8Smiles:
CCCCCCc1c(OC2OC(CO)C(O)C(O)C2O)cc(CCCC(C)C)oc1=OAglycone:
CCCCCCc1c(O)cc(CCCC(C)C)oc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 442.55 | Num_heavy_atoms: | 31 |
| TPSA: | 129.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD56222
Formula: C17H28O3
Smiles:
CCCCCCc1c(O)cc(CCCC(C)C)oc1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 280.41 | Num_heavy_atoms: | 20 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
