Glycoside
GD125959
Name:
3-methyl-1-[(3-methyl-1-{[3-methyl-1-({3-methyl-1-oxo-1-[(1,3,4,5,6-pentahydroxyhexan-2-yl)oxy]pentan-2-yl}oxy)-1-oxopentan-2-yl]oxy}-1-oxopentan-2-yl)oxy]-1-oxopentan-2-yl 2-(acetyloxy)-3-methylpentanoateFormula:
C38H66O17Smiles:
CCC(C)C(OC(C)=O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(CO)C(O)C(O)C(O)CO)C(C)CC)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)CC)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(CO)OOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 26 |
| MolWt: | 794.93 | Num_heavy_atoms: | 55 |
| TPSA: | 258.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD50948
Formula: C32H54O11
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)CC)C(C)CC)C(C)CC)C(C)CC| HBA: | 11 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.81 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 20 |
| MolWt: | 614.77 | Num_heavy_atoms: | 43 |
| TPSA: | 148.57 | NumAromaticRings: | 0 |
