Glycoside
GD129393
Name:
2-(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}propyl nonadeca-10,13-dienoateFormula:
C52H88O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 6.88 | Num_rotatable_bonds: | 38 |
| MolWt: | 953.26 | Num_heavy_atoms: | 67 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD52417
Formula: C40H68O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 11.23 | Num_rotatable_bonds: | 32 |
| MolWt: | 628.98 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
