Glycoside
GD119724
Name:
methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetratriacont-7-enoateFormula:
C41H78O8Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCC(OC1OC(CO)C(O)C(O)C1O)C(=O)OCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCC(O)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 9.23 | Num_rotatable_bonds: | 34 |
| MolWt: | 699.07 | Num_heavy_atoms: | 49 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48022
Formula: C35H68O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCC(O)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 11.41 | Num_rotatable_bonds: | 31 |
| MolWt: | 536.93 | Num_heavy_atoms: | 38 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
