Glycoside
GD134324
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl hexadec-9-enoateFormula:
C25H46O9Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 19 |
| MolWt: | 490.63 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54348
Formula: C19H36O4
Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 16 |
| MolWt: | 328.49 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
