Glycoside
GD139412
Name:
3-methyl-1-{[3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]pentan-2-yl}oxy)-1-oxopentan-2-yl]oxy}-1-oxopentan-2-yl 2-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3-methylpentanoateFormula:
C37H64O17Smiles:
CCC(C)C(OC(=O)C(OC(C)=O)C(C)C)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OCC(O)C(O)C(O)C(O)CO)C(C)CC)C(C)CC)C(C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 25 |
| MolWt: | 780.9 | Num_heavy_atoms: | 54 |
| TPSA: | 258.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD56214
Formula: C31H52O11
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC| HBA: | 11 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.81 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 19 |
| MolWt: | 600.75 | Num_heavy_atoms: | 42 |
| TPSA: | 148.57 | NumAromaticRings: | 0 |
