Glycoside
GD126992
Name:
1-(octadeca-9,12,15-trienoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl 12-methyloctadeca-9,12,15-trienoateFormula:
C52H86O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC(C)=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC(C)=CCC=CCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 6.65 | Num_rotatable_bonds: | 36 |
| MolWt: | 951.24 | Num_heavy_atoms: | 67 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD51147
Formula: C40H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC(C)=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 11.0 | Num_rotatable_bonds: | 30 |
| MolWt: | 626.96 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
