Glycoside
GD156438
Name:
[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl hexadeca-7,10,13-trienoateFormula:
C28H46O12Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCC(=O)OCSugarmoiety:
OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 17 |
| MolWt: | 574.66 | Num_heavy_atoms: | 40 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD61946
Formula: C17H28O2
Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 264.41 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
