Glycoside
GD125920
Name:
2-(octadeca-9,12-dienoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl icosanoateFormula:
C47H86O10Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 10.11 | Num_rotatable_bonds: | 39 |
| MolWt: | 811.2 | Num_heavy_atoms: | 57 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50926
Formula: C41H76O5
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 12.29 | Num_rotatable_bonds: | 36 |
| MolWt: | 649.05 | Num_heavy_atoms: | 46 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
