Glycoside
GD039991
Name:
n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamideFormula:
C59H107O9NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](COC(=O)CCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC.COC(=O)CCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 13.7 | Num_rotatable_bonds: | 48 |
| MolWt: | 974.5 | Num_heavy_atoms: | 69 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD03985
Formula: C44H89O3N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 13.69 | Num_rotatable_bonds: | 41 |
| MolWt: | 680.2 | Num_heavy_atoms: | 48 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
AD16388
Formula: C10H12O2
Smiles:
COC(=O)CCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
