Glycoside
GD121026
Name:
2-(hexadeca-7,10,13-trienoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-9,12-dienoateFormula:
C43H72O10Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 7.88 | Num_rotatable_bonds: | 32 |
| MolWt: | 749.04 | Num_heavy_atoms: | 53 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48677
Formula: C37H62O5
Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 10.06 | Num_rotatable_bonds: | 29 |
| MolWt: | 586.9 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
