Glycoside
GD134156
Name:
2-(octadeca-9,12,15-trienoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl nonadeca-10,13-dienoateFormula:
C46H78O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 9.05 | Num_rotatable_bonds: | 35 |
| MolWt: | 791.12 | Num_heavy_atoms: | 56 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52417
Formula: C40H68O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 11.23 | Num_rotatable_bonds: | 32 |
| MolWt: | 628.98 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
