Glycoside
GD138585
Name:
2-(hexadec-9-enoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C43H74O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 8.1 | Num_rotatable_bonds: | 33 |
| MolWt: | 751.05 | Num_heavy_atoms: | 53 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04068
Formula: C37H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 10.28 | Num_rotatable_bonds: | 30 |
| MolWt: | 588.91 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
