Glycoside
GD141301
Name:
2-(hexadecanoyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(formyloxy)methyl]oxan-2-yl]oxy}propyl octadeca-9,12-dienoateFormula:
C50H84O14Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
CC(=O)OC1C(O)OC(COC=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 10.45 | Num_rotatable_bonds: | 40 |
| MolWt: | 909.21 | Num_heavy_atoms: | 64 |
| TPSA: | 176.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD02136
Formula: C37H68O5
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 10.73 | Num_rotatable_bonds: | 32 |
| MolWt: | 592.95 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
