Glycoside
GD122406
Name:
2-[2,3-bis(octadeca-9,12,15-trien-1-yloxy)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H78O8Smiles:
CCC=CCC=CCC=CCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OCCCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCCOCC(CO)OCCCCCCCCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 9.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 747.11 | Num_heavy_atoms: | 53 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49321
Formula: C39H68O3
Smiles:
CCC=CCC=CCC=CCCCCCCCCOCC(CO)OCCCCCCCCC=CCC=CCC=CCC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 11.56 | Num_rotatable_bonds: | 32 |
| MolWt: | 584.97 | Num_heavy_atoms: | 42 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
