Glycoside
GD136500
Name:
3-(octadeca-9,12,15-trienoyloxy)-2-{[(3,4,5-trihydroxy-6-{[(1,2,3,4,5-pentahydroxy-6-oxohexyl)oxy]methyl}oxan-2-yl)oxy]methyl}propyl octadeca-9,12,15-trienoateFormula:
C52H86O16Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(COC(O)C(O)C(O)C(O)C(O)C=O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)COC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
O=CC(O)C(O)C(O)C(O)C(O)OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 41 |
| MolWt: | 967.24 | Num_heavy_atoms: | 68 |
| TPSA: | 259.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD55181
Formula: C40H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)COC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 10.86 | Num_rotatable_bonds: | 31 |
| MolWt: | 626.96 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
