Glycoside
GD039444
Name:
n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamideFormula:
C58H104O9NF3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](OCc2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.OCc1ccc(C(F)(F)F)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 13.73 | Num_rotatable_bonds: | 47 |
| MolWt: | 1016.46 | Num_heavy_atoms: | 71 |
| TPSA: | 157.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD24411
Formula: C8H7OF3
Smiles:
OCc1ccc(C(F)(F)F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.14 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
