Glycoside
GD125416
Name:
2-(hexadec-7-enoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12-dienoateFormula:
C43H76O10Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 8.33 | Num_rotatable_bonds: | 34 |
| MolWt: | 753.07 | Num_heavy_atoms: | 53 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50726
Formula: C37H66O5
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 10.5 | Num_rotatable_bonds: | 31 |
| MolWt: | 590.93 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
