Glycoside
GD140427
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadec-9-enoateFormula:
C31H56O14Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 22 |
| MolWt: | 652.78 | Num_heavy_atoms: | 45 |
| TPSA: | 225.06 | 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 |
