Glycoside
GD148114
Name:
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acidFormula:
C28H54O8Smiles:
CCCCCCCCCCCCCCCCC(CCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCC(O)CCCCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 23 |
| MolWt: | 518.73 | Num_heavy_atoms: | 36 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49821
Formula: C22H44O3
Smiles:
CCCCCCCCCCCCCCCCC(O)CCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 20 |
| MolWt: | 356.59 | Num_heavy_atoms: | 25 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
