Glycoside
GD142591
Name:
{6-[2,3-bis(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methyl octadeca-9,12,15-trienoateFormula:
C63H102O11Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 14.58 | Num_rotatable_bonds: | 47 |
| MolWt: | 1035.5 | Num_heavy_atoms: | 74 |
| TPSA: | 158.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD02397
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD17906
Formula: C19H32O2
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 292.46 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
