Glycoside
GD122486
Name:
1-{[6-(hexadecanamidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoateFormula:
C57H109O10NSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CN=C(O)CCCCCCCCCCCCCCC)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(O)=NCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 14.67 | Num_rotatable_bonds: | 50 |
| MolWt: | 968.5 | Num_heavy_atoms: | 68 |
| TPSA: | 164.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD01044
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD49362
Formula: C17H35ON
Smiles:
CCCCCCCCCCCCCCCC(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 269.47 | Num_heavy_atoms: | 19 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
