Glycoside
GD131085
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadeca-9,12-dienoateFormula:
C39H68O19Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.87 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 26 |
| MolWt: | 840.95 | Num_heavy_atoms: | 58 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD17472
Formula: C21H38O4
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 17 |
| MolWt: | 354.53 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
