Glycoside
GD125431
Name:
[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl hexadeca-7,10-dienoateFormula:
C28H48O12Smiles:
CCCCCC=CCC=CCCCCCC(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCCCCC=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: | 0.82 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 18 |
| MolWt: | 576.68 | Num_heavy_atoms: | 40 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD50733
Formula: C17H30O2
Smiles:
CCCCCC=CCC=CCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 266.42 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
