Glycoside
GD039187
Name:
n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamideFormula:
C43H85O8NSmiles:
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 8.78 | Num_rotatable_bonds: | 37 |
| MolWt: | 744.15 | Num_heavy_atoms: | 52 |
| TPSA: | 148.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD24303
Formula: C37H75O3N
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 10.96 | Num_rotatable_bonds: | 34 |
| MolWt: | 582.01 | Num_heavy_atoms: | 41 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
