Glycoside
GD001509
Name:
2-(octadec-9-enoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadeca-9,12,15-trienoateFormula:
C51H88O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 6.71 | Num_rotatable_bonds: | 38 |
| MolWt: | 941.25 | Num_heavy_atoms: | 66 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD01508
Formula: C39H68O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 11.06 | Num_rotatable_bonds: | 32 |
| MolWt: | 616.97 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
