Glycoside
GD152415
Name:
1-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(octadeca-9,12,15-trienoyloxy)propan-2-yl 12-methyloctadeca-9,12,15-trienoateFormula:
C46H77O9NSmiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CN)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:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 8.79 | Num_rotatable_bonds: | 33 |
| MolWt: | 788.12 | Num_heavy_atoms: | 56 |
| TPSA: | 157.77 | 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 |
